Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL151805 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10382214 | 0.95 | TSHR (0.50) | TSHRALDH1A1DNM1RAB9ATDP1 | |
| SCHEMBL150143 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8688382 | 0.86 | — | — | |
| SCHEMBL14040492 | 0.84 | CHRM2 (0.46) | TSHRALDH1A1RAB9ASIGMAR1TDP1 | |
| SCHEMBL3456909 | 0.84 | CHRM2 (0.46) | TSHRALDH1A1RAB9ASIGMAR1TDP1 | |
| Trimethylammonium SCHEMBL27678262 | 0.80 | TSHR (0.56) | TSHRALDH1A1RAB9ATDP1LCK | |
| Water SCHEMBL23531254 | 0.80 | ALDH1A1 (0.92) | TSHRALDH1A1DNM1SIGMAR1TDP1 | |
| Water SCHEMBL7124715 | 0.80 | ALDH1A1 (0.92) | TSHRALDH1A1DNM1SIGMAR1TDP1 | |
| SCHEMBL17451526 | 0.78 | LCK (0.52) | TSHRALDH1A1TDP1LCKMAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3038557-A | — | — | None | — | — | JP | disclosed |
| US-6790995-B2 | BY REDUCTION WITH HYDROGEN AT GIVEN TEMPERATURE AND PRESSURIZATION USING A PALLADIUM-CONTAINING CATALYST ON A SUPPORT; INCREASED OPERATING LIFE OR LONG-TERM STABILITY OF THE CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-14 | — | — | US | disclosed |
| US-20020091194-A1 | Preparation of primary and secondary amines from nitriles | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-11 | — | — | US | disclosed |
| US-5894074-A | Preparation of tertiary amines from nitriles and secondary amines | BASF AKTIENGESELLSCHAFT (DE) | 1999-04-13 | — | — | US | disclosed |
| US-5463130-A | Preparation of peralkylated amines | BASF AKTIENGESELLSCHAFT (DE) | 1995-10-31 | — | — | US | disclosed |
| EP-0592488-A1 | DIMETHYLAMINO-HYDROXY-ALKAN DIPHOSPHONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | INSTITUTO GENTILI S.P.A. (IT) | 1994-04-20 | — | — | EP | disclosed |
| WO-1993000348-A1 | DIMETHYLAMINO-HYDROXY-ALKAN DIPHOSPHONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ISTITUTO GENTILI S.P.A. (IT) | 1993-01-07 | — | — | WO | disclosed |
| JP-H0338557-A | 6-DIMETHYLAMINOHEXANE NITRILE AND ITS PRODUCTION | TORAY IND INC | 1991-02-19 | — | — | JP | disclosed |