Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8191120 | 0.84 | CYP2A6 (0.52) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 | |
| SCHEMBL12569555 | 0.77 | CYP2D6 (0.49) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 | |
| SCHEMBL21865143 | 0.77 | CYP2D6 (0.49) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 | |
| SCHEMBL13204853 | 0.77 | CYP2D6 (0.49) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 | |
| SCHEMBL12626506 | 0.77 | CYP2D6 (0.49) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 | |
| SCHEMBL12304966 | 0.77 | CYP2A6 (0.45) | CYP2A6CYP2D6HIF1ACYP19A1MEN1 | |
| SCHEMBL162882 | 0.77 | NPC1 (0.52) | CYP2A6CYP2D6HIF1ASMN1; SMN2NPC1 | |
| SCHEMBL12309888 | 0.76 | CYP2A6 (0.47) | CYP2A6CYP2D6HIF1ACYP19A1MEN1 | |
| SCHEMBL14587017 | 0.74 | CYP2D6 (0.54) | CYP2A6CYP2D6HIF1ACYP19A1SMN1; SMN2 | |
| SCHEMBL12626870 | 0.74 | CYP2D6 (0.46) | CYP2A6CYP2D6HIF1ASMN1; SMN2MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0020391-A1 | SUBSTITUTED ACETIC ACID ESTERS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-01-07 | — | — | EP | disclosed |
| WO-1980000563-A1 | SUBSTITUTED ACETIC ACID ESTERS | SOREX LTD (GB) | 1980-04-03 | — | — | WO | disclosed |