Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7188669 | 0.80 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL6202338 | 0.78 | CYP1A2 (0.43) | ALDH1A1MAPK1KMT2ACYP1A2CYP2A6 | |
| SCHEMBL4348788 | 0.78 | CA1 (0.55) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27624921 | 0.77 | PDE2A (0.47) | ALDH1A1L3MBTL1 | |
| SCHEMBL6205148 | 0.76 | ADRB2 (0.44) | MAPK1TDP1TSHRL3MBTL1AOC3 | |
| SCHEMBL6206390 | 0.76 | AOC3 (0.44) | ALDH1A1ACHEAOC3 | |
| SCHEMBL27606186 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27606395 | 0.76 | ACHE (0.49) | CA1CA2CA12CA7CA9 | |
| SCHEMBL119132 | 0.75 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL83160 | 0.75 | KMT2A (0.46) | CA1CA2CA12CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112250692-A | Macrocyclization reactions useful for the synthesis of halichondrin macrolides and intermediates and other fragments | 卫材R&D管理有限公司 | 2021-01-22 | — | — | CN | disclosed |
| EP-1506175-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097609-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-11-27 | — | — | WO | disclosed |