Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9425364 | 0.80 | CA1 (0.58) | ALDH1A1MAPK1TSHRTDP1L3MBTL1 | |
| SCHEMBL119132 | 0.80 | CA1 (0.58) | ALDH1A1MAPK1TSHRTDP1L3MBTL1 | |
| SCHEMBL19728201 | 0.80 | CA1 (0.58) | ALDH1A1MAPK1TSHRTDP1L3MBTL1 | |
| SCHEMBL11938484 | 0.80 | CA1 (0.58) | ALDH1A1MAPK1TSHRTDP1L3MBTL1 | |
| SCHEMBL11938486 | 0.80 | CA1 (0.58) | ALDH1A1MAPK1TSHRTDP1L3MBTL1 | |
| SCHEMBL3695690 | 0.80 | CA1 (0.58) | ALDH1A1MAPK1TSHRTDP1L3MBTL1 | |
| SCHEMBL19728209 | 0.80 | CA1 (0.58) | ALDH1A1MAPK1TSHRTDP1L3MBTL1 | |
| SCHEMBL120187 | 0.80 | CA12 (0.58) | ALDH1A1MAPK1TSHRTDP1L3MBTL1 | |
| SCHEMBL435441 | 0.80 | CA1 (0.58) | ALDH1A1MAPK1TSHRTDP1L3MBTL1 | |
| SCHEMBL8129596 | 0.79 | AOC3 (0.49) | ALDH1A1MAPK1TSHRTDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106632070-B | A kind of preparation method of PDE4 inhibitor chlorine than Pulan | 广州兰晟健智医药科技有限公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-104016917-B | 5,6-dihydro coffee pyridine compounds and preparation method thereof | 洛阳师范学院 | 2016-06-22 | — | — | CN | disclosed |