Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.60 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.60 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.60 |
| ▸ | MTNR1A | P48039 | 8/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.49 |
| ▸ | HTR2C | P28335 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | CDC42 | P60953 | 1/20 | 0.43 |
| ▸ | RAC1 | P63000 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12804630 | 0.89 | MTNR1A (0.61) | AKR1C3AKR1C2PTGS1AKR1C1MTNR1A | |
| SCHEMBL9353040 | 0.83 | KDM4E (0.49) | AKR1C3AKR1C2PTGS1AKR1C1MTNR1A | |
| SCHEMBL6280665 | 0.82 | MTNR1A (0.48) | AKR1C3AKR1C2PTGS1AKR1C1MTNR1A | |
| SCHEMBL7059358 | 0.82 | PTGS2 (0.57) | AKR1C3AKR1C2PTGS1MTNR1AMTNR1B | |
| SCHEMBL7031139 | 0.82 | PTGS2 (0.57) | AKR1C3AKR1C2PTGS1MTNR1AMTNR1B | |
| SCHEMBL29439167 | 0.81 | AKR1C3 (0.44) | AKR1C3AKR1C2PTGS1AKR1C1MTNR1A | |
| SCHEMBL27890994 | 0.81 | PTGS2 (0.56) | AKR1C3AKR1C2PTGS1MTNR1AMTNR1B | |
| Ammonia Solution, Strong SCHEMBL10891516 | 0.81 | PTGS2 (0.56) | AKR1C3AKR1C2PTGS1MTNR1AMTNR1B | |
| SCHEMBL3930770 | 0.80 | MTNR1A (0.52) | AKR1C3AKR1C2PTGS1AKR1C1MTNR1A | |
| SCHEMBL3930766 | 0.80 | MTNR1A (0.52) | AKR1C3AKR1C2PTGS1AKR1C1MTNR1A |
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-5281617-A | Enzyme inhibitor | CORTECH, INC. (US) | 1994-01-25 | — | — | US | disclosed |
| US-4420639-A | Aromatic compounds | BEECHAM GROUP LIMITED (GB) | 1983-12-13 | — | — | US | disclosed |