Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11208153 | 0.81 | PTGS1 (0.54) | AKR1C3AKR1C2PTGS1SLC2A1RAD52 | |
| SCHEMBL10352723 | 0.81 | AKR1C3 (0.50) | AKR1C3AKR1C2PTGS1SLC2A1RAD52 | |
| SCHEMBL10881400 | 0.81 | CYP1A2 (0.55) | AKR1C3AKR1C2PTGS1SLC2A1RAD52 | |
| SCHEMBL11667739 | 0.81 | PTGS1 (0.54) | AKR1C3AKR1C2PTGS1SLC2A1RAD52 | |
| SCHEMBL11209767 | 0.81 | AKR1C3 (0.50) | AKR1C3AKR1C2PTGS1SLC2A1RAD52 | |
| SCHEMBL11209331 | 0.77 | PTGS1 (0.46) | AKR1C3AKR1C2PTGS1SLC2A1RAD52 | |
| SCHEMBL3720728 | 0.76 | PTGS1 (0.59) | AKR1C3AKR1C2PTGS1SLC2A1RAD52 | |
| SCHEMBL13484112 | 0.76 | PTGS1 (0.54) | AKR1C3AKR1C2PTGS1SLC2A1RAD52 | |
| SCHEMBL13484409 | 0.73 | SLC6A4 (0.70) | — | |
| SCHEMBL9546449 | 0.73 | PTGS1 (0.56) | AKR1C3AKR1C2PTGS1SLC2A1RAD52 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1654236-A1 | NAPHTHYLENE DERIVATIVES AS CYTOCHROME P450 INHIBITORS | OSI Pharmaceuticals, Inc. (US) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005007631-A1 | NAPHTHYLENE DERIVATIVES AS CYTOCHROME P450 INHIBITORS | OSI PHARMACEUTICALS, INC. (US) | 2005-01-27 | — | — | WO | disclosed |