Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12621055 | 0.81 | ORAI1 (0.39) | ORAI1ORAI2ORAI3TRPV6CES2 | |
| SCHEMBL196718 | 0.73 | CYP3A4 (0.44) | ORAI1ORAI2ORAI3TRPV6CES2 | |
| SCHEMBL5713320 | 0.71 | CYP3A4 (0.42) | ORAI1ORAI2ORAI3TRPV6CES2 | |
| SCHEMBL7933208 | 0.71 | CA1 (0.40) | ORAI1ORAI2ORAI3TRPV6CES2 | |
| SCHEMBL31328588 | 0.71 | CYP3A4 (0.36) | ORAI1ORAI2ORAI3TRPV6CES2 | |
| SCHEMBL8654887 | 0.69 | EPHX2 (0.46) | ORAI1ORAI2ORAI3TRPV6CES2 | |
| SCHEMBL2153517 | 0.69 | CA1 (0.38) | ORAI1ORAI2ORAI3TRPV6CES2 | |
| SCHEMBL10340766 | 0.69 | IDO1 (0.39) | ORAI1ORAI2ORAI3TRPV6CES2 | |
| SCHEMBL2886150 | 0.69 | IDO1 (0.39) | ORAI1ORAI2ORAI3TRPV6CES2 | |
| Hydrochloric Acid SCHEMBL21724713 | 0.69 | CYP3A4 (0.40) | ORAI1ORAI2ORAI3TRPV6CES2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6077968-A | Process for the preparation of alkyl arylphosphinites | CELANESE GMBH (DE) | 2000-06-20 | — | — | US | disclosed |
| EP-0739333-B1 | SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS | DU PONT (US) | 1998-10-14 | — | — | EP | disclosed |
| US-5705669-A | DEHYDROHALOGENATION A HALOPHOSPHINE, REACTION WITH ALCOHOL AND NEUTRALIZATION WITH ALCOHOL | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-06 | — | — | US | disclosed |
| EP-0739333-A1 | SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-10-30 | — | — | EP | disclosed |
| US-5510507-A | COORDINATION CATALYSTS; EFFICIENT ENANTIOSELECTIVITY | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-04-23 | — | — | US | disclosed |
| US-5481006-A | PREPARATION OF INTERMEDIATES FOR PHARMACEUTICALS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-01-02 | — | — | US | disclosed |
| WO-1995018787-A1 | SELECTIVE ASYMMETRIC HYDROGENATION OF DEHYDROAMINO ACID DERIVATIVES USING RHODIUM AND IRIDIUM DIPHOSPHINITE CARBOHYDRATE CATALYST COMPOSITIONS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-07-13 | — | — | WO | disclosed |