Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 3/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | TOP2A | P11388 | 1/20 | 0.67 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.67 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL24846433 | 0.88 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL9872850 | 0.81 | ALDH1A1 (0.45) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL24846512 | 0.80 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL887207 | 0.79 | ENPP1 (0.70) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL24846509 | 0.77 | CYP1A2 (0.88) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL12920817 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL2115657 | 0.76 | PIN1 (1.00) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL24846480 | 0.76 | ENPP1 (1.00) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL24846382 | 0.76 | ENPP1 (0.84) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL24846383 | 0.74 | CYP1A2 (0.74) | CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5017701-A | Process for the preparation of purine derivatives | BEECHAM GROUP, P.L.C. (GB) | 1991-05-21 | — | — | US | disclosed |
| EP-0352953-A2 | Process for the preparation of purine derivatives | BEECHAM GROUP PLC (GB) | 1990-01-31 | — | — | EP | disclosed |