Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8466469 | 0.91 | LMNA (0.46) | HRH1LOXL2MMP12MMP13HRH3 | |
| SCHEMBL10399076 | 0.83 | HRH1 (0.47) | HRH1LOXL2MMP12MMP13HRH3 | |
| SCHEMBL10399075 | 0.83 | HRH1 (0.47) | HRH1LOXL2MMP12MMP13HRH3 | |
| SCHEMBL14273406 | 0.81 | HRH1 (0.53) | HRH1LOXL2MMP12MMP13HRH3 | |
| SCHEMBL743000 | 0.79 | HRH1 (0.47) | HRH1LOXL2MMP12MMP13HRH3 | |
| SCHEMBL3169642 | 0.78 | HRH1 (0.50) | HRH1LOXL2HRH3HRH4CYP1A2 | |
| SCHEMBL726645 | 0.78 | HRH1 (0.73) | HRH1LOXL2HRH3HRH4CYP1A2 | |
| SCHEMBL351920 | 0.78 | HRH1 (0.65) | HRH1LOXL2HRH3HRH4CYP1A2 | |
| SCHEMBL9079346 | 0.77 | LTB4R (0.46) | HRH1MMP12MMP13CYP3A4ALDH1A1 | |
| SCHEMBL5833581 | 0.77 | TRPA1 (0.56) | TDP1TRPA1MAPTMAPK1 |
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 9 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 |
| EP-0946190-B1 | METHODS AND COMPOSITIONS FOR STIMULATING NEURITE OUTGROWTH | VERTEX PHARMA (US) | 2003-09-24 | — | — | 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 |