Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 6/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8410372 | 0.89 | AR (0.40) | ARIDO1MAPTLMNAHTT | |
| SCHEMBL8410613 | 0.86 | DHFR (0.44) | ARIDO1MAPTLMNAHTT | |
| SCHEMBL8643800 | 0.86 | ALDH1A1 (0.39) | ARIDO1ACHEMAPTHTT | |
| SCHEMBL9014990 | 0.83 | AR (0.36) | ARMAPTLMNASMN1; SMN2PGR | |
| SCHEMBL1154616 | 0.82 | L3MBTL1 (0.44) | ARIDO1ACHEMAPTLMNA | |
| SCHEMBL2075358 | 0.79 | L3MBTL1 (0.42) | ARMAPTLMNAPGRALDH1A1 | |
| SCHEMBL8647963 | 0.77 | ADORA2A (0.42) | ARIDO1MAPTHTTALDH1A1 | |
| SCHEMBL8569510 | 0.76 | DHFR (0.44) | ARIDO1ACHEMAPTSMN1; SMN2 | |
| SCHEMBL8642759 | 0.72 | CYP19A1 (0.42) | IDO1MAPTLMNAHTTSMN1; SMN2 | |
| SCHEMBL8644586 | 0.72 | KDM4E (0.45) | ARIDO1MAPTHTTSMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0748311-B1 | THERAPEUTIC BENZONITRILES | WELLCOME FOUND (GB) | 1999-08-04 | — | — | EP | disclosed |
| US-5723452-A | Therapeutic benzonitriles | GLAXO WELLCOME INC. (US) | 1998-03-03 | — | — | US | disclosed |
| EP-0748311-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-12-18 | — | — | EP | disclosed |
| WO-1995023133-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-08-31 | — | — | WO | disclosed |