Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 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 | |
|---|---|---|---|---|
| SCHEMBL91860 | 0.93 | MAPT (0.38) | ALDH1A1TP53ALOX12RXRARXRB | |
| SCHEMBL91819 | 0.90 | MAPT (0.37) | ALDH1A1TP53ALOX12RXRARXRB | |
| SCHEMBL91821 | 0.84 | MAPT (0.43) | AKR1C3AKR1C2MAPTCYP1A2CYP2C19 | |
| SCHEMBL91846 | 0.82 | MAPT (0.45) | ALDH1A1TP53MAPTCYP1A2CYP2C19 | |
| SCHEMBL91851 | 0.79 | MAPT (0.44) | ALDH1A1TP53AKR1C3AKR1C2MAPT | |
| SCHEMBL91807 | 0.78 | AR (0.43) | AKR1C3AKR1C2MAPTPDE3BPDE3A | |
| SCHEMBL91853 | 0.76 | S1PR1 (0.35) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL11489237 | 0.72 | KMT2A (0.45) | MAPTCYP1A2NPC1TNFPKM | |
| SCHEMBL22447434 | 0.72 | AR (0.42) | AKR1C3AKR1C2MAPTPDE3BPDE3A | |
| SCHEMBL91841 | 0.71 | AR (0.44) | AKR1C3AKR1C2PDE3BPDE3AESR1 |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |