Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.54 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 7/20 | 0.48 |
| ▸ | MMP2 | P08253 | 5/20 | 0.48 |
| ▸ | MMP14 | P50281 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29942182 | 0.99 | CDK1 (0.55) | CDK1CCNB1ALOX15RAB9AKDM4E | |
| SCHEMBL4276567 | 0.99 | CDK1 (0.55) | CDK1CCNB1ALOX15RAB9AKDM4E | |
| SCHEMBL20504460 | 0.83 | XDH (0.47) | GLAGAAMAPTALPL | |
| SCHEMBL27335723 | 0.82 | RAB9A (0.52) | CDK1CCNB1ALOX15RAB9AKDM4E | |
| SCHEMBL24403024 | 0.80 | ALOX15 (0.53) | CDK1CCNB1ALOX15RAB9AKDM4E | |
| SCHEMBL30220587 | 0.80 | KDM4E (0.47) | CDK1CCNB1ALOX15RAB9AKDM4E | |
| SCHEMBL25581554 | 0.79 | RXFP1 (0.40) | ALDH1A1HPGDHSD17B10LMNAMEN1 | |
| SCHEMBL26620078 | 0.77 | CDK1 (0.52) | CDK1CCNB1ALOX15RAB9AKDM4E | |
| SCHEMBL30296805 | 0.77 | CDK1 (0.52) | CDK1CCNB1ALOX15RAB9AKDM4E | |
| SCHEMBL4073035 | 0.77 | HPGD (0.49) | KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10 |
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-4103559-A1 | HETEROCYCLIC PAD4 INHIBITORS | Bristol-Myers Squibb Company (US) | 2022-12-21 | — | — | EP | disclosed |