Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10964362 | 0.85 | PGK1 (0.40) | SMN1; SMN2 | |
| SCHEMBL9181306 | 0.80 | PTPN5 (0.42) | — | |
| SCHEMBL8174642 | 0.80 | CA1 (0.53) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9781670 | 0.79 | LMNA (0.67) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11249782 | 0.78 | SMN1; SMN2 (0.41) | CYP1A2CYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8636351 | 0.77 | PTPN1 (0.47) | CYP3A4MEN1KMT2ASMN1; SMN2GAA | |
| SCHEMBL9862584 | 0.76 | CA12 (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL87450 | 0.76 | CA1 (0.83) | CA1CA2CA12CA7CA9 | |
| SCHEMBL571045 | 0.75 | CA12 (0.63) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2888233 | 0.75 | CA1 (0.63) | CA1CA2CA12CA7CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5021414-A | Antiestrogen | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-06-04 | — | — | US | disclosed |
| US-4904661-A | ANTIESTROGENS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-27 | — | — | US | disclosed |
| US-4732912-A | ANTIESTROGENS, ANTITUMOR AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-03-22 | — | — | US | disclosed |
| EP-0124369-B1 | PHENOL DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-06-24 | — | — | EP | disclosed |
| EP-0124369-A1 | Phenol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-11-07 | — | — | EP | disclosed |