Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8418939 | 0.88 | CYP19A1 (0.50) | CYP19A1MAOAMAOBTSHRNPC1 | |
| SCHEMBL14002978 | 0.84 | CYP19A1 (0.52) | CYP19A1MAOAMAOBTSHRNPC1 | |
| SCHEMBL8038746 | 0.84 | CYP19A1 (0.54) | CYP19A1MAOAMAOBTSHRNPC1 | |
| SCHEMBL1609607 | 0.78 | TP53 (0.50) | MAOAMAOBNPC1TP53ALDH1A1 | |
| SCHEMBL10702096 | 0.78 | CYP19A1 (0.44) | CYP19A1MAOAMAOBTSHRNPC1 | |
| SCHEMBL160454 | 0.77 | LMNA (0.43) | TSHRCYP3A4ALDH1A1CNR1TDP1 | |
| SCHEMBL9431977 | 0.77 | NFE2L2 (0.52) | NPC1MAPTCYP3A4 | |
| SCHEMBL27848544 | 0.76 | CYP19A1 (0.50) | CYP19A1MAOAMAOBNPC1MAPT | |
| SCHEMBL6320373 | 0.74 | ALDH1A1 (0.39) | TSHRNPC1MAPTNPSR1ALDH1A1 | |
| SCHEMBL27258312 | 0.74 | CYP19A1 (0.52) | CYP19A1MAOAMAOBTSHRNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007130499-A2 | ANTIVIRAL AGENTS | VIROBAY, INC. (US) | 2007-11-15 | — | — | WO | claimed |
| WO-2007130499-A2 | ANTIVIRAL AGENTS | VIROBAY, INC. (US) | 2007-11-15 | — | — | WO | disclosed |