Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GGT1 | P19440 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TOP1 | P11387 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28796445 | 0.87 | BACE1 (0.42) | HDAC1HDAC3HDAC2BACE1KDM4E | |
| SCHEMBL27748175 | 0.86 | HDAC1 (0.52) | HDAC1HDAC3HDAC2BACE1KDM4E | |
| SCHEMBL27879328 | 0.81 | ADORA1 (0.43) | HDAC1BACE1KDM4EALDH1A1HPGD | |
| SCHEMBL27769336 | 0.81 | TDP1 (0.44) | HDAC1HDAC3HDAC2BACE1KDM4E | |
| SCHEMBL27769325 | 0.78 | TDP1 (0.44) | BACE1KDM4ETDP1ALDH1A1ESR1 | |
| SCHEMBL27848619 | 0.76 | NPC1 (0.48) | HDAC1HDAC3HDAC2KDM4EHSD17B10 | |
| SCHEMBL28781439 | 0.73 | CRHBP (0.53) | BACE1KDM4ETDP1ALDH1A1ESR1 | |
| SCHEMBL28005664 | 0.73 | CFD (0.41) | BACE1KDM4ETDP1ALDH1A1ESR1 | |
| SCHEMBL28794195 | 0.72 | PTGS1 (0.64) | HDAC1HDAC3HDAC2KDM4ETSHR | |
| SCHEMBL27827831 | 0.72 | ACHE (0.54) | BACE1KDM4ETDP1ALDH1A1ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101903359-B | Triazole-substituted arylamide derivatives and their use as P2X3 and/or P2X2/3 purinergic receptor antagonists | HOFFMANN LA ROCHE | 2013-05-22 | — | — | CN | disclosed |
| CN-101903359-A | Triazole-substituted arylamide derivatives and their use as P2X3And/or P2X2/3Use of purinergic receptor antagonists | HOFFMANN LA ROCHE | 2010-12-01 | — | — | CN | disclosed |