Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9525780 | 0.84 | SMN1; SMN2 (0.57) | CYP1A2ALDH1A1TSHRNPC1RAB9A | |
| SCHEMBL12248256 | 0.84 | CA12 (0.59) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL11532390 | 0.83 | CA12 (0.58) | CA12CA1CA2CA9CYP1A2 | |
| Hydrochloric Acid SCHEMBL27540796 | 0.83 | CA12 (0.58) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL10426892 | 0.81 | ALDH1A1 (0.45) | CYP1A2ALDH1A1TSHRNPC1RAB9A | |
| SCHEMBL5519487 | 0.81 | CA12 (0.52) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL1269638 | 0.80 | CA12 (0.55) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8282497 | 0.80 | NPC1 (0.57) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL11532136 | 0.79 | TDP1 (0.55) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL27640134 | 0.79 | CA12 (0.61) | CA12CA1CA2CA9CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0359377-B1 | 1,4-DIHYDROPYRIDINE DERIVATIVE | NIKKEN CHEMICALS CO., LTD. (JP) | 1993-10-13 | — | — | EP | disclosed |
| US-4985558-A | ANTITUMOR AGENTS | NIKKEN CHEMICALS CO., LTD. (JP) | 1991-01-15 | — | — | US | disclosed |
| EP-0359377-A1 | 1,4-dihydropyridine derivative | NIKKEN CHEMICALS CO., LTD. (JP) | 1990-03-21 | — | — | EP | disclosed |
| US-4044141-A | CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-23 | — | — | US | disclosed |