Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2126204 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL2789718 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3892675 | 0.88 | — | — | |
| Cyclopropane SCHEMBL28089739 | 0.83 | CHRM2 (0.36) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL6207154 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8413000 | 0.72 | ADRB2 (0.46) | ADRB2ADRB1ADRB3TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL5074625 | 0.72 | ADRB2 (0.46) | ADRB2ADRB1ADRB3TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL4960594 | 0.72 | — | — | |
| SCHEMBL28522463 | 0.72 | CA12 (0.50) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL8415270 | 0.70 | ALDH1A1 (0.50) | ADRB2ADRB1ADRB3TSHRALDH1A1 |
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-0742214-B1 | Seco-D steroids active in the cardiovascular system and pharmaceutical compositions containing same | SIGMA TAU IND FARMACEUTI (IT) | 1999-06-16 | — | — | EP | disclosed |
| US-5731345-A | Seco-D steroids active on the cardiovascular system and pharmaceutical compositions containing same | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) | 1998-03-24 | — | — | US | disclosed |