Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12048740 | 0.79 | EGFR (0.51) | CASP3KMT2A | |
| SCHEMBL12060551 | 0.79 | SIGMAR1 (0.53) | CYP1A2MCL1MEN1KMT2A | |
| SCHEMBL4600762 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP2A6MCL1MTNR1AMTNR1B | |
| SCHEMBL9702074 | 0.77 | CYP1A1 (0.46) | CYP1A2CYP2A6MTNR1AMTNR1BMEN1 | |
| SCHEMBL9290859 | 0.75 | XDH (0.46) | CYP1A2CYP2A6MEN1KMT2ALTA4H | |
| Mequinol SCHEMBL8923068 | 0.74 | MCL1 (0.58) | CYP1A2CYP2A6MCL1MEN1KMT2A | |
| SCHEMBL17602315 | 0.74 | MTNR1A (0.62) | MTNR1AMTNR1BMEN1KMT2A | |
| SCHEMBL12048742 | 0.74 | DHFR (0.45) | CYP1A2CYP2A6MTNR1AMTNR1BHTR2A | |
| SCHEMBL17602128 | 0.73 | ESR2 (0.61) | CASP3SENP8SENP7SENP6LTA4H | |
| SCHEMBL9163161 | 0.72 | CYP1A2 (0.45) | CYP1A2CYP2A6MTNR1AMTNR1BMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4910208-A | Skin disorders, antiinflammatory agent | E. R. SQUIBB & SONS, INC. (US) | 1990-03-20 | — | — | US | claimed |