Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | HTR3A | P46098 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 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 | |
|---|---|---|---|---|
| SCHEMBL9014990 | 0.90 | AR (0.36) | ARPGRKDM4EALDH1A1HPGD | |
| SCHEMBL1154616 | 0.89 | L3MBTL1 (0.44) | ARPGRKDM4EALDH1A1HPGD | |
| SCHEMBL8412919 | 0.89 | AR (0.36) | ARPGRKDM4EALDH1A1HPGD | |
| SCHEMBL2075358 | 0.86 | L3MBTL1 (0.42) | ARPGRKDM4EALDH1A1HPGD | |
| SCHEMBL8644586 | 0.81 | KDM4E (0.45) | ARKDM4EALDH1A1HPGDL3MBTL1 | |
| SCHEMBL9015004 | 0.77 | AR (0.42) | ARPGRKDM4EALDH1A1HPGD | |
| SCHEMBL8410613 | 0.77 | DHFR (0.44) | ARPGRKDM4EALDH1A1HPGD | |
| SCHEMBL1154522 | 0.76 | MAOA (0.47) | ARPGRKDM4EALDH1A1HPGD | |
| SCHEMBL8641570 | 0.76 | TDP1 (0.40) | KDM4EALDH1A1HSD17B10TDP1MAPT | |
| SCHEMBL846222 | 0.74 | ALDH1A1 (0.41) | ARPGRKDM4EALDH1A1HPGD |
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 |