Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 8/20 | 0.53 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2992525 | 0.89 | MAPK14 (0.50) | MAPK14AKR1A1AKR1B1PTPN1CA1 | |
| SCHEMBL8076766 | 0.88 | CA1 (0.57) | PTPN1CA1CA2CA4CA7 | |
| SCHEMBL30629120 | 0.88 | CA1 (0.57) | PTPN1CA1CA2CA4CA7 | |
| SCHEMBL10885799 | 0.84 | CA1 (0.53) | PTPN1CA1CA2CA4CA7 | |
| SCHEMBL23111388 | 0.84 | CA1 (0.57) | PTPN1CA1CA2CA4CA7 | |
| SCHEMBL2252533 | 0.84 | CA1 (0.57) | PTPN1CA1CA2CA4CA7 | |
| SCHEMBL7451901 | 0.84 | CA1 (0.57) | PTPN1CA1CA2CA4CA7 | |
| SCHEMBL29595732 | 0.84 | CA1 (0.57) | PTPN1CA1CA2CA4CA7 | |
| SCHEMBL7432075 | 0.82 | CA1 (0.52) | AKR1A1AKR1B1PTPN1CA1CA2 | |
| SCHEMBL30479662 | 0.82 | CA1 (0.52) | AKR1A1AKR1B1PTPN1CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6028112-A | Spirocyclopropyl fluorenes as melatonergic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-02-22 | — | — | US | disclosed |
| WO-1998052554-A1 | SPIROCYCLOPROPYL FLUORENES AS MELATONERGIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-11-26 | — | — | WO | disclosed |