Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA3 | P07451 | 3/20 | 0.45 |
| ▸ | CA4 | P22748 | 3/20 | 0.45 |
| ▸ | CA6 | P23280 | 3/20 | 0.45 |
| ▸ | CA5A | P35218 | 3/20 | 0.45 |
| ▸ | CA7 | P43166 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1910 | 0.79 | ALDH1A1 (0.55) | NPC1ALDH1A1CYP3A4CA1CA2 | |
| SCHEMBL1660614 | 0.79 | ALDH1A1 (0.55) | NPC1ALDH1A1CYP3A4CA1CA2 | |
| SCHEMBL7900430 | 0.78 | PSIP1 (0.54) | ALDH1A1CA1CA2CA12CA3 | |
| SCHEMBL10048839 | 0.77 | ALDH1A1 (0.44) | NPC1ALDH1A1CYP3A4MAPK1CA1 | |
| SCHEMBL6922308 | 0.76 | CA2 (0.52) | ALDH1A1CA2KDM4EKMT2AMEN1 | |
| SCHEMBL2341706 | 0.76 | ALDH1A1 (0.52) | NPC1ALDH1A1CYP3A4CA1CA2 | |
| SCHEMBL3254088 | 0.75 | ALDH1A1 (0.59) | NPC1ALDH1A1CYP3A4MAPK1CA1 | |
| SCHEMBL7274454 | 0.75 | PKM (0.53) | NPC1ALDH1A1CA1CA2KMT2A | |
| Dimethyl Sulfoxide SCHEMBL4647339 | 0.73 | ALDH1A1 (0.48) | NPC1ALDH1A1CYP3A4CA1CA2 | |
| SCHEMBL2914219 | 0.73 | ALDH1A1 (0.56) | NPC1ALDH1A1CYP3A4MAPK1CA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6204397-B1 | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-03-20 | — | — | US | disclosed |
| EP-0505742-B1 | Process for the production of 4-cyanopyrrole compounds substituted at the 3-position | BAYER AG (DE) | 2000-09-20 | — | — | EP | disclosed |
| US-5258526-A | Reacting aromatic bromide with acrylonitrile followed by cyclizing with a phenylsulphonylmethyl isocyanide | BAYER AKTIENGESELLSCHAFT (DE) | 1993-11-02 | — | — | US | disclosed |
| EP-0505742-A2 | Process for the production of 4-cyanopyrrole compounds substituted at the 3-position | BAYER AG (DE) | 1992-09-30 | — | — | EP | disclosed |
| US-4680413-A | Process for the production of 3-phenyl-4-cyanopyrroles | NIPPON SODA CO., LTD. (JP) | 1987-07-14 | — | — | US | disclosed |
| US-4647410-A | Novel 17-substituted steroids | GIST-BROCADES N.V. (NL) | 1987-03-03 | — | — | US | disclosed |
| EP-0124934-B1 | 17-(ISOCYANO-SULFONYLMETHYLENE)-STEROIDS, 17-(FORMAMIDO-SULFONYLMETHYLENE)-STEROIDS AND THEIR PREPARATION | GIST-BROCADES N.V. (NL) | 1986-11-20 | — | — | EP | disclosed |