Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GGT1 | P19440 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CFD | P00746 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27769336 | 0.81 | TDP1 (0.44) | TDP1KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL28796445 | 0.79 | BACE1 (0.42) | TDP1KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL28794193 | 0.78 | HDAC1 (0.41) | TDP1KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL27748175 | 0.78 | HDAC1 (0.52) | TDP1KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL28781439 | 0.77 | CRHBP (0.53) | TDP1KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL27827831 | 0.76 | ACHE (0.54) | TDP1KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL27318392 | 0.75 | CFD (0.61) | TDP1KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL28005664 | 0.74 | CFD (0.41) | TDP1KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL27827712 | 0.73 | PTPN1 (0.50) | PTGS1PTPN1 | |
| SCHEMBL27899305 | 0.73 | BACE1 (0.55) | KDM4EHSD17B10ALDH1A1HPGDPTGS1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102245586-B | Thiadiazole-substituted arylamides | HOFFMANN LA ROCHE | 2014-07-09 | — | — | CN | disclosed |
| CN-101903348-B | Pyrazole-substituted arylamides | HOFFMANN LA ROCHE | 2013-08-14 | — | — | CN | disclosed |
| CN-103159692-A | Tetrazole-substituted arylamides | HOFFMANN LA ROCHE | 2013-06-19 | — | — | CN | disclosed |
| CN-101479250-B | Tetrazole-substituted arylamides | HOFFMANN LA ROCHE | 2013-05-22 | — | — | CN | disclosed |
| CN-101528717-B | Thiazole and oxazole-substituted arylamides | HOFFMANN LA ROCHE | 2013-04-24 | — | — | CN | disclosed |
| CN-102438989-A | Novel oxazolone and pyrrolidinone-substituted arylamides | HOFFMANN LA ROCHE | 2012-05-02 | — | — | CN | disclosed |
| CN-102245586-A | Thiadiazole-substituted arylamides | HOFFMANN LA ROCHE | 2011-11-16 | — | — | CN | disclosed |
| CN-101903355-A | Novel imidazole-substituted arylamides | HOFFMANN LA ROCHE | 2010-12-01 | — | — | CN | disclosed |
| CN-101903348-A | Novel pyrazole-substituted arylamides | HOFFMANN LA ROCHE | 2010-12-01 | — | — | 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 |
| CN-101528717-A | Thiazole and oxazole-substituted arylamides | HOFFMANN LA ROCHE (CH) | 2009-09-09 | — | — | CN | disclosed |
| CN-101479250-A | Tetrazole-substituted arylamides | HOFFMANN LA ROCHE (CH) | 2009-07-08 | — | — | CN | disclosed |