Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | PGR | P06401 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | AR | P10275 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL31619636 | 0.90 | SMN1; SMN2 (0.51) | NPC1RAB9ACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL8782870 | 0.84 | CYP1A2 (0.57) | NPC1RAB9ACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL7532214 | 0.80 | GSTP1 (0.62) | NPC1RAB9ACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL2934843 | 0.78 | ALDH1A1 (0.56) | NPC1RAB9ACYP1A2CYP2C19CYP3A4 | |
| SCHEMBL8202718 | 0.78 | PRKAB2 (0.55) | HPGDLMNAALDH1A1CYP2C8SMN1; SMN2 | |
| SCHEMBL2869177 | 0.78 | TRIM24 (0.59) | CYP1A2CYP2C19CYP3A4ARALDH1A1 | |
| SCHEMBL20208770 | 0.77 | KDM4E (0.56) | CYP1A2CYP2C19CYP3A4HPGDLMNA | |
| SCHEMBL29706084 | 0.77 | KDM4E (0.56) | CYP1A2CYP2C19CYP3A4HPGDLMNA | |
| SCHEMBL30739535 | 0.77 | ALDH1A1 (0.68) | NPC1RAB9ACYP1A2CYP2C19HPGD | |
| SCHEMBL5144554 | 0.76 | NPC1 (0.69) | NPC1RAB9ACYP1A2CYP2C19CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7767693-B2 | Hsp90 family protein inhibitors | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2010-08-03 | — | — | US | disclosed |