Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.58 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.58 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.58 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.58 |
| ▸ | QPCT | Q16769 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8447144 | 0.96 | CYP2A6 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL8446022 | 0.94 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3181153 | 0.93 | SMN1; SMN2 (0.57) | CYP19A1QPCTSMN1; SMN2LMNA | |
| SCHEMBL7868656 | 0.87 | CYP19A1 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14416010 | 0.87 | SMN1; SMN2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8443968 | 0.86 | HMOX1 (0.65) | CYP19A1CYP11B1CYP11B2QPCTALDH1A1 | |
| SCHEMBL14416009 | 0.86 | CYP19A1 (0.67) | CYP19A1CYP11B1CYP11B2QPCTSMN1; SMN2 | |
| SCHEMBL2475754 | 0.85 | QPCT (0.67) | CYP1A2CYP3A4CYP2D6CYP19A1CYP11B1 | |
| SCHEMBL8444490 | 0.85 | ALOX15 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3166171 | 0.84 | SMN1; SMN2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-1420009-A2 | Novel amino acid derivatives with improved multi-drug resistance activity | Vertex Pharmaceuticals Incorporated (US) | 2004-05-19 | — | — | EP | disclosed |
| EP-0797567-B1 | NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMA (US) | 2004-02-11 | — | — | EP | disclosed |
| US-6284778-B1 | NEUROTROPHIC AGENT | VERTEX PHARMACEUTICALS INCORPORATED | 2001-09-04 | — | — | US | disclosed |
| US-6172086-B1 | TREATING PARKINSON*S DISEASE, ALZHIEMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS AND OTHER NERVOUS SYSTEM DISORDERS | VERTEX PHARMACEUTICALS INCORPORATED | 2001-01-09 | — | — | US | disclosed |
| US-5840736-A | PEPTIDES FOR NERVE GROWTH | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1998-11-24 | — | — | US | disclosed |
| EP-0797567-A1 | NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | Vertex Pharmaceuticals Incorporated (US) | 1997-10-01 | — | — | EP | disclosed |
| US-5543423-A | USED IN MULTI-DRUG RESISTANCE CANCER THERAPY | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1996-08-06 | — | — | US | disclosed |
| WO-1996015101-A1 | NOVEL AMINO ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1996-05-23 | — | — | WO | disclosed |