Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20231213 | 0.94 | ALDH1A1 (0.46) | HTR1ATSHRSMN1; SMN2PAOXALDH1A1 | |
| SCHEMBL18024009 | 0.92 | PAOX (0.43) | HTR1ASMN1; SMN2PAOXHRH3ALDH1A1 | |
| SCHEMBL1097993 | 0.92 | HTR1A (0.53) | HTR1ATSHRSMN1; SMN2PAOXALDH1A1 | |
| SCHEMBL14980281 | 0.90 | HTR1A (0.51) | HTR1ATSHRSMN1; SMN2PAOXALDH1A1 | |
| SCHEMBL18353898 | 0.90 | HTR1A (0.51) | HTR1ATSHRSMN1; SMN2PAOXALDH1A1 | |
| SCHEMBL20231218 | 0.89 | PAOX (0.44) | HTR1ASMN1; SMN2PAOXHRH3ALDH1A1 | |
| SCHEMBL4381609 | 0.88 | ALDH1A1 (0.45) | HTR1ASMN1; SMN2PAOXHRH3ALDH1A1 | |
| SCHEMBL20231386 | 0.86 | ALDH1A1 (0.44) | HTR1ASMN1; SMN2PAOXHRH3ALDH1A1 | |
| SCHEMBL24689125 | 0.86 | PAOX (0.44) | PAOXHRH3ALDH1A1DRD3NPC1 | |
| SCHEMBL12371264 | 0.83 | HRH3 (0.50) | HTR1ATSHRSMN1; SMN2HRH3ALDH1A1 |
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-2016130968-A1 | BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR | YALE UNIVERSITY (US) | 2016-08-18 | — | — | WO | disclosed |