Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL357782 | 0.91 | ALDH1A1 (0.53) | ALDH1A1HSD11B1HPGDTP53TDP1 | |
| SCHEMBL3715230 | 0.86 | ALDH1A1 (0.49) | ALDH1A1HSD11B1HPGDTP53TDP1 | |
| SCHEMBL357897 | 0.77 | DHODH (0.47) | ALDH1A1HSD11B1HPGDTP53 | |
| SCHEMBL18172362 | 0.74 | P2RX3 (0.60) | ALDH1A1HPGDTP53TDP1LMNA | |
| SCHEMBL1495498 | 0.74 | TDP1 (0.64) | ALDH1A1MEN1KMT2AHPGDTDP1 | |
| SCHEMBL356382 | 0.74 | — | — | |
| SCHEMBL357632 | 0.73 | P2RX3 (0.45) | ALDH1A1MEN1KMT2AHPGDTP53 | |
| SCHEMBL13415725 | 0.71 | CNR2 (0.60) | ALDH1A1MEN1KMT2AHPGDTDP1 | |
| SCHEMBL16769662 | 0.71 | TDP1 (0.77) | ALDH1A1MEN1KMT2AHPGDTDP1 | |
| SCHEMBL21241138 | 0.71 | TDP1 (0.69) | ALDH1A1MEN1KMT2AHPGDTDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2038264-B1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES | HOFFMANN LA ROCHE (CH) | 2016-10-26 | — | — | EP | disclosed |
| EP-2592070-B1 | Tetrazole-substituted arylamides | HOFFMANN LA ROCHE (CH) | 2016-08-31 | — | — | EP | disclosed |
| EP-2570407-B1 | TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2014-08-13 | — | — | EP | disclosed |
| EP-2234989-B1 | TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2014-08-13 | — | — | EP | disclosed |