Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.49 |
| ▸ | TNKS | O95271 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.41 |
| ▸ | TUBB | P07437 | 2/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8339208 | 0.92 | AKR1B1 (0.49) | AKR1B1TNKS2TNKSLMNAKMT2A | |
| SCHEMBL12867176 | 0.87 | ALOX5 (0.44) | AKR1B1TNKS2TNKSTSHRTAAR1 | |
| SCHEMBL8337638 | 0.85 | TUBB4A (0.50) | CYP3A4PTGS2TUBB4ATUBBTUBA3C | |
| SCHEMBL12775669 | 0.84 | TRPV1 (0.46) | AKR1B1TNKS2MEN1KMT2AGAA | |
| SCHEMBL6349366 | 0.83 | ESR1 (0.50) | TSHRTAAR1MAPK1ADRB2LMNA | |
| SCHEMBL8342475 | 0.79 | TAAR1 (0.61) | TSHRTAAR1MAPK1LMNACYP3A4 | |
| SCHEMBL10062369 | 0.78 | PTGS2 (0.59) | AKR1B1TNKS2TNKSTSHRTAAR1 | |
| SCHEMBL17263518 | 0.78 | AKR1B1 (0.76) | AKR1B1TNKS2TNKSTSHRTAAR1 | |
| SCHEMBL14770056 | 0.78 | MEN1 (0.39) | PTGS2MEN1KMT2AESR1KDM4E | |
| SCHEMBL10285344 | 0.78 | AKR1B1 (0.55) | AKR1B1TNKS2TNKSTSHRTAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004043367-A2 | FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |