Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.41 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.41 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.41 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20332207 | 1.00 | NPC1 (0.49) | NPC1RAB9ACYP1A1CYP1B1CYP1A2 | |
| SCHEMBL29577437 | 0.86 | NPC1 (0.47) | NPC1RAB9ACYP1A1CYP1B1CYP1A2 | |
| SCHEMBL20330977 | 0.86 | NPC1 (0.47) | NPC1RAB9ACYP1A1CYP1B1CYP1A2 | |
| SCHEMBL29428742 | 0.79 | NPC1 (0.59) | NPC1RAB9ACYP1A1CYP1B1CYP1A2 | |
| SCHEMBL20330972 | 0.79 | NPC1 (0.59) | NPC1RAB9ACYP1A1CYP1B1CYP1A2 | |
| SCHEMBL31693066 | 0.75 | SMN1; SMN2 (0.41) | CYP1A2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL31648329 | 0.73 | FGFR1 (0.40) | CYP1A1CYP1B1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20331733 | 0.73 | NPC1 (0.51) | NPC1RAB9ACYP1A1CYP1B1CYP1A2 | |
| SCHEMBL20331057 | 0.71 | NPC1 (0.69) | NPC1RAB9ACYP1A1CYP1B1CYP1A2 | |
| SCHEMBL857818 | 0.70 | KDM4E (0.48) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 |
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-3524603-B1 | FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | ABBISKO THERAPEUTICS CO LTD (CN) | 2022-06-08 | — | — | EP | disclosed |