Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 8/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5172043 | 0.82 | POLB (0.56) | HPGDPOLBALDH1A1NPC1RAB9A | |
| SCHEMBL5169781 | 0.80 | POLB (0.54) | HPGDPOLBALDH1A1NPC1RAB9A | |
| SCHEMBL28435021 | 0.80 | POLB (0.54) | HPGDPOLBALDH1A1NPC1RAB9A | |
| SCHEMBL26023546 | 0.79 | HPGD (0.47) | HPGDPOLBALDH1A1NPC1RAB9A | |
| SCHEMBL9808095 | 0.78 | NPC1 (0.55) | HPGDPOLBALDH1A1NPC1RAB9A | |
| SCHEMBL26121323 | 0.76 | CA2 (0.57) | HPGDPOLBALDH1A1NPC1RAB9A | |
| SCHEMBL24194824 | 0.75 | HPGD (0.39) | HPGDALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL28433531 | 0.75 | HPGD (0.44) | HPGDPOLBALDH1A1NPC1RAB9A | |
| SCHEMBL4720208 | 0.75 | HPGD (0.46) | HPGDALDH1A1NPC1RAB9AUSP2 | |
| SCHEMBL5683064 | 0.75 | HPGD (0.54) | HPGDPOLBALDH1A1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005100335-A1 | STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED OXIRANES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-10-27 | — | — | WO | disclosed |