Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9939693 | 0.86 | NPC1 (0.42) | NPC1TSHRKMOALDH1A1KDM4E | |
| SCHEMBL25853966 | 0.79 | NPC1 (0.42) | NPC1TSHRKMOMAOAEPHA2 | |
| SCHEMBL9939521 | 0.76 | SMN1; SMN2 (0.41) | NPC1TSHRKMOALDH1A1KDM4E | |
| SCHEMBL9939180 | 0.75 | TSHR (0.56) | NPC1TSHRKMOALDH1A1KDM4E | |
| SCHEMBL22137745 | 0.73 | KDR (0.51) | NPC1TSHRALDH1A1KDM4EMAPT | |
| SCHEMBL25854094 | 0.73 | TSHR (0.52) | NPC1TSHRKMOALDH1A1KDM4E | |
| SCHEMBL9972390 | 0.73 | KDR (0.56) | TSHRMAPTHTR2CHTR2BEPHA2 | |
| SCHEMBL9943575 | 0.73 | MAPK14 (0.44) | NPC1TSHRKMOALDH1A1KDM4E | |
| SCHEMBL17434796 | 0.70 | ABL1 (0.52) | TSHRALDH1A1KDM4E | |
| SCHEMBL17453735 | 0.70 | MAPK14 (0.43) | NPC1TSHRALDH1A1KDM4EHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651416-B1 | COMPOUNDS USEFUL FOR TREATING AIDS | ABIVAX (FR) | 2018-05-09 | — | — | EP | disclosed |