Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5427158 | 0.86 | ACHE (0.52) | CYP1A2CYP3A4CYP2D6SMN1; SMN2NPC1 | |
| SCHEMBL197286 | 0.84 | ACHE (0.54) | CYP1A2CYP3A4CYP2D6SMN1; SMN2NPC1 | |
| SCHEMBL29635198 | 0.84 | ACHE (0.54) | CYP1A2CYP3A4CYP2D6SMN1; SMN2NPC1 | |
| SCHEMBL9624006 | 0.83 | KMT2A (0.47) | CYP19A1CYP17A1CYP11B2CYP11B1CYP1A2 | |
| SCHEMBL9624468 | 0.83 | ALDH1A1 (0.45) | CYP1A2CYP3A4CYP2D6NPC1RAB9A | |
| SCHEMBL5713343 | 0.82 | ACHE (0.52) | CYP1A2CYP3A4CYP2D6SMN1; SMN2NPC1 | |
| Phosphine SCHEMBL6466867 | 0.82 | ACHE (0.52) | CYP1A2CYP3A4CYP2D6SMN1; SMN2NPC1 | |
| SCHEMBL9624576 | 0.81 | RPS6KA3 (0.40) | CYP11B2CYP11B1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9624187 | 0.80 | RPS6KA3 (0.42) | CYP17A1CYP11B2CYP11B1CYP1A2CYP3A4 | |
| SCHEMBL8030637 | 0.78 | CA4 (0.52) | CYP1A2CYP3A4SMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0307026-B1 | PROCESS FOR THE PREPARATION OF A BUTENE | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-03-18 | — | — | EP | disclosed |
| EP-0271144-B1 | PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-10-16 | — | — | EP | disclosed |
| EP-0282142-B1 | PROCESS FOR THE CARBONYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS WITH A PALLADIUM CATALYST | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-09-11 | — | — | EP | disclosed |
| US-4940787-A | Process for the carbonylation of acetylenic unsaturated compounds | SHELL OIL COMPANY (US) | 1990-07-10 | — | — | US | disclosed |
| EP-0307026-A1 | Process for the preparation of a butene | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-03-15 | — | — | EP | disclosed |
| US-4786443-A | Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst | SHELL OIL COMPANY (US) | 1988-11-22 | — | — | US | disclosed |
| EP-0282142-A1 | Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-09-14 | — | — | EP | disclosed |
| EP-0271144-A2 | Process for the carbonylation of acetylenically unsaturated compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-06-15 | — | — | EP | disclosed |