Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | UBE2I | P63279 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4038866 | 0.89 | SRC (0.39) | NPC1RAB9AMEN1KMT2ASRC | |
| SCHEMBL4036701 | 0.85 | HTT (0.36) | MEN1KMT2ASMN1; SMN2HPGDKDM4E | |
| SCHEMBL4043372 | 0.60 | ZAP70 (0.50) | CYP1A1CYP1A2CYP1B1SRCZAP70 | |
| SCHEMBL4048336 | 0.60 | CYP1A1 (0.46) | NPC1RAB9ACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL31374372 | 0.60 | NPC1 (0.47) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL28257980 | 0.57 | ROCK1 (0.55) | NPC1RAB9AMEN1KMT2AHPGDS | |
| Anisole SCHEMBL28150475 | 0.57 | ALDH1A1 (0.56) | NPC1RAB9AMEN1KMT2ACYP1A1 | |
| SCHEMBL6319123 | 0.56 | GABRA1 (0.45) | NPC1RAB9AMEN1KMT2ACYP1A1 | |
| SCHEMBL4895926 | 0.55 | GABRA1 (0.44) | NPC1RAB9AMEN1KMT2ACYP1A1 | |
| SCHEMBL14675928 | 0.54 | KMT2A (0.56) | NPC1RAB9AMEN1KMT2ATP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |