Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 6/20 | 0.52 |
| ▸ | ERCC4 | Q92889 | 6/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 3/20 | 0.41 |
| ▸ | ALPG | P10696 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11108415 | 0.99 | ERCC1 (0.51) | ERCC1ERCC4ADRB2ADRB1ADRB3 | |
| SCHEMBL11106423 | 0.85 | ADRB2 (0.43) | ERCC1ERCC4ADRB2ADRB1ADRB3 | |
| SCHEMBL11107985 | 0.83 | ERCC1 (0.54) | ERCC1ERCC4ALDH1A1ALPLALPG | |
| Bromide SCHEMBL11102100 | 0.80 | MEN1 (0.51) | ADRB2ADRB1ADRB3ALDH1A1HDAC1 | |
| SCHEMBL11217332 | 0.79 | ADRB2 (0.43) | ADRB2ADRB1ADRB3ALDH1A1CA1 | |
| Bromide SCHEMBL11112551 | 0.77 | KMT2A (0.49) | ADRB2ADRB1ADRB3MEN1KMT2A | |
| SCHEMBL4398841 | 0.76 | ALPG (0.48) | ALPLALPGCA1CA2HDAC6 | |
| SCHEMBL31419971 | 0.74 | ALPG (0.51) | ALPLALPGCA1CA2HDAC6 | |
| SCHEMBL9768098 | 0.74 | ALPG (0.51) | ALPLALPGCA1CA2HDAC6 | |
| SCHEMBL10351730 | 0.74 | MAPT (0.58) | ERCC1ERCC4CA1CA2PLAA |
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-4470997-A | Esters | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-09-11 | — | — | US | disclosed |
| US-4423070-A | DI- AND TRIESTERS OF N-(ACYLAMINOALKYL)-DIHYDROXYPHENYLETHANOLAMINES, ANTIINFLAMMATORY | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1983-12-27 | — | — | US | disclosed |