Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5146782 | 0.80 | TSHR (0.37) | TSHRALDH1A1TDP1LCKMAPK1 | |
| SCHEMBL7319284 | 0.79 | TSHR (0.40) | TSHRALDH1A1TDP1LCKMAPK1 | |
| SCHEMBL15170825 | 0.78 | — | — | |
| SCHEMBL23735583 | 0.75 | MAPK1 (0.41) | TSHRALDH1A1TDP1LCKMAPK1 | |
| SCHEMBL11668657 | 0.73 | TSHR (0.40) | TSHRALDH1A1TDP1LCKMAPK1 | |
| SCHEMBL6829951 | 0.71 | LCK (0.39) | TSHRALDH1A1TDP1LCKMAPK1 | |
| SCHEMBL11047390 | 0.71 | LCK (0.39) | TSHRALDH1A1TDP1LCKMAPK1 | |
| SCHEMBL13601936 | 0.71 | TSHR (0.44) | TSHRALDH1A1TDP1LCK | |
| SCHEMBL16750038 | 0.70 | ALDH1A1 (0.36) | TSHRALDH1A1TDP1HPGDCASP1 | |
| SCHEMBL713835 | 0.70 | LCK (0.38) | TSHRLCKMAPK1CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1215196-B1 | Selective reductive amination of nitriles | AIR PROD & CHEM (US) | 2004-05-12 | — | — | EP | claimed |
| EP-0913388-B1 | Hydrogenation of nitriles to produce amines | AIR PROD & CHEM (US) | 2003-10-01 | — | — | EP | claimed |
| EP-1094058-B1 | Selective reductive amination of nitriles | AIR PROD & CHEM (US) | 2003-09-03 | — | — | EP | claimed |
| EP-1215196-A1 | Selective reductive amination of nitriles | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-06-19 | — | — | EP | claimed |
| US-6399830-B1 | USING CATALYST | AIR PRODUCTS AND CHEMICALS, INC. | 2002-06-04 | — | — | US | claimed |
| US-6248925-B1 | REACTING A NITRILE WITH A PRIMARY OR SECONDARY AMINE EFFECTING CONVERSION OF THE NITRILE GROUP TO THE CORRESPONDING SECONDARY OR TERTIARY AMINE; PROMOTIONALLY EFFECTIVE AMOUNT OF A LITHIUM COMPOUND OR SODIUM CHLORIDE. | AIR PRODUCTS AND CHEMICALS, INC. | 2001-06-19 | — | — | US | claimed |
| EP-1094058-A1 | Selective reductive amination of nitriles | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-04-25 | — | — | EP | claimed |
| EP-0913388-A1 | Hydrogenation of nitriles to produce amines | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-05-06 | — | — | EP | claimed |
| US-5869653-A | USING SPONGE OR RANEY COBALT CATALYST; AMMONIA-FREE REACTION | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-02-09 | — | — | US | claimed |
| EP-1697303-A4 | CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF | STIEFEL LABORATORIES (US) | 2007-07-04 | — | — | EP | disclosed |
| EP-1697303-A1 | CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF | STIEFEL LABORATORIES, INC. (US) | 2006-09-06 | — | — | EP | disclosed |
| US-20060047171-A1 | Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof | STIEFEL LABORATORIES, INC. | 2006-03-02 | — | — | US | disclosed |
| WO-2005068414-A1 | CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF | STIEFEL LABORATORIES, INC. (US) | 2005-07-28 | — | — | WO | disclosed |
| EP-1215196-B1 | Selective reductive amination of nitriles | AIR PROD & CHEM (US) | 2004-05-12 | — | — | EP | disclosed |
| EP-1215196-A1 | Selective reductive amination of nitriles | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-06-19 | — | — | EP | disclosed |
| US-6399830-B1 | USING CATALYST | AIR PRODUCTS AND CHEMICALS, INC. | 2002-06-04 | — | — | US | disclosed |
| US-6248925-B1 | REACTING A NITRILE WITH A PRIMARY OR SECONDARY AMINE EFFECTING CONVERSION OF THE NITRILE GROUP TO THE CORRESPONDING SECONDARY OR TERTIARY AMINE; PROMOTIONALLY EFFECTIVE AMOUNT OF A LITHIUM COMPOUND OR SODIUM CHLORIDE. | AIR PRODUCTS AND CHEMICALS, INC. | 2001-06-19 | — | — | US | disclosed |
| EP-1094058-A1 | Selective reductive amination of nitriles | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-04-25 | — | — | EP | disclosed |
| EP-0913388-A1 | Hydrogenation of nitriles to produce amines | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-05-06 | — | — | EP | disclosed |
| US-5869653-A | USING SPONGE OR RANEY COBALT CATALYST; AMMONIA-FREE REACTION | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-02-09 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060047171-A1 | Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof | HPD, HNMT, PRPH | TSHR 4814/4885ALDH1A1 1137/4885TDP1 1745/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.