Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4753199 | 0.89 | VCAM1 (0.60) | VCAM1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL1353346 | 0.86 | VCAM1 (0.57) | VCAM1ALDH1A1HPGDNPSR1LMNA | |
| SCHEMBL30304316 | 0.85 | VCAM1 (0.56) | VCAM1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL6553684 | 0.84 | PARP1 (0.62) | ALDH1A1MAPTGAAATMLMNA | |
| SCHEMBL19046539 | 0.84 | VCAM1 (0.55) | VCAM1ALDH1A1HPGDNPSR1LMNA | |
| SCHEMBL5881965 | 0.82 | VCAM1 (0.53) | VCAM1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL5734347 | 0.82 | VCAM1 (0.68) | VCAM1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL29946151 | 0.81 | MAPK1 (0.59) | VCAM1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL1291038 | 0.81 | MAPK1 (0.59) | VCAM1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL2722007 | 0.81 | VCAM1 (0.56) | VCAM1ALDH1A1HPGDNPSR1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4268510-A | DEMETHANIZATION, METABOLISM, RUMEN | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-05-19 | — | — | US | disclosed |
| EP-0010348-A1 | Heterocyclic trichloromethyl derivatives, process for their preparation and their use | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-04-30 | — | — | EP | disclosed |