Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 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 | |
|---|---|---|---|---|
| SCHEMBL169595 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CA12CA1METCA4 | |
| SCHEMBL23731306 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CA9TDP1CHRNB2CHRNB4 | |
| SCHEMBL2402230 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CA12CA1METCA4 | |
| SCHEMBL28295808 | 0.78 | AKR1B10 (0.49) | ALDH1A1CA12CA1METCA4 | |
| SCHEMBL50012 | 0.76 | ALDH1A1 (0.65) | ALDH1A1CA1TDP1CHRNB2CHRNB4 | |
| SCHEMBL1647493 | 0.76 | ALDH1A1 (0.65) | ALDH1A1CA1TDP1CHRNB2CHRNB4 | |
| SCHEMBL6237288 | 0.76 | ESR1 (0.52) | ALDH1A1CA12CA1METCA4 | |
| SCHEMBL11009805 | 0.76 | CYP2A6 (0.45) | ALDH1A1CA1CA9TDP1MAOB | |
| SCHEMBL11349144 | 0.76 | CA12 (0.31) | CA12CA1METCA4CA6 | |
| SCHEMBL12764315 | 0.76 | TAAR1 (0.45) | CA12CA1CA4CA9POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0376751-A1 | Polymerizable cyclic urea derivatives and polymers having a pendant urea | NIPPON PAINT CO., LTD. (JP) | 1990-07-04 | — | — | EP | disclosed |