Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7003709 | 0.89 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6998299 | 0.81 | GAA (0.45) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7001057 | 0.78 | FGFR1 (0.46) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7985033 | 0.77 | NLRP3 (0.46) | ALDH1A1SMN1; SMN2NLRP3RAB9ANPC1 | |
| SCHEMBL7003613 | 0.77 | ADORA1 (0.46) | ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7002481 | 0.75 | TSHR (0.48) | ALDH1A1SMN1; SMN2NPSR1NPC1POLB | |
| SCHEMBL7002759 | 0.74 | TSHR (0.44) | ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A | |
| SCHEMBL20343821 | 0.74 | GAA (0.46) | ALDH1A1SMN1; SMN2KMT2AMEN1CTSL | |
| SCHEMBL7002343 | 0.73 | EPHX2 (0.46) | ALDH1A1KMT2AMEN1POLB | |
| SCHEMBL6995177 | 0.73 | EPHX2 (0.46) | ALDH1A1KMT2AMEN1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1069126-B1 | TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY | OTSUKA PHARMA CO LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| US-6288070-B1 | Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-09-11 | — | — | US | disclosed |
| EP-1069126-A1 | TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-01-17 | — | — | EP | disclosed |