Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2381878 | 0.71 | CYP1A2 (0.74) | CYP1A2HSD17B10ALDH1A1CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL3269944 | 0.70 | CYP1A2 (0.60) | CYP1A2HSD17B10ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL523736 | 0.68 | HRH3 (0.46) | COMTCYP1A2HSD17B10ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL27446824 | 0.65 | NPC1 (0.43) | HSD17B10CYP3A4HTTHPGDMAPT | |
| Thiourea SCHEMBL28833597 | 0.65 | KDM4E (0.41) | HSD17B10ALDH1A1TSHRUSP2HPGD | |
| Formic Acid SCHEMBL28735051 | 0.65 | PLD1 (0.39) | CYP1A2HSD17B10ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL29620532 | 0.65 | AURKA (0.63) | MAPTKDM4EKMT2AMEN1NPC1 | |
| SCHEMBL190954 | 0.65 | AURKA (0.63) | MAPTKDM4EKMT2AMEN1NPC1 | |
| Ammonia Solution, Strong SCHEMBL20267253 | 0.63 | AURKA (0.61) | MAPTKDM4EKMT2AMEN1NPC1 | |
| SCHEMBL9334406 | 0.63 | NPC1 (0.44) | COMTMAPTKDM4EKMT2AMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5686456-A | DIARYLPYRIMIDINES | THE UNIVERSITY OF NORTH CAROLINA (US) | 1997-11-11 | — | — | US | disclosed |