Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP2 | O95551 | 1/20 | 0.42 |
| ▸ | ALKBH3 | Q96Q83 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PRNP | P04156 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27792402 | 0.88 | HSD11B1 (0.42) | CYP2C19 | |
| SCHEMBL1894719 | 0.85 | KDM4E (0.40) | ALDH1A1CYP2C9CYP2C19KDM4EHTT | |
| SCHEMBL27771409 | 0.82 | CYP19A1 (0.41) | TSHRALDH1A1L3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL1891004 | 0.81 | SLC33A1 (0.52) | — | |
| SCHEMBL27771369 | 0.80 | CYP2C19 (0.44) | ALDH1A1MEN1PRNPKMT2ACYP2C19 | |
| SCHEMBL1893086 | 0.77 | PPARG (0.45) | — | |
| SCHEMBL27792506 | 0.76 | PPARG (0.36) | ALDH1A1CYP2C9CYP2C19KDM4ESMN1; SMN2 | |
| SCHEMBL2871115 | 0.75 | ACHE (0.45) | — | |
| SCHEMBL27792455 | 0.75 | ALDH1A1 (0.37) | ALDH1A1CYP2C9CYP2C19KDM4ESMN1; SMN2 | |
| SCHEMBL1897749 | 0.73 | SLC33A1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101589037-A | Heteromonocyclic compounds and uses thereof | TAKEDA PHARMACEUTICAL (JP) | 2009-11-25 | — | — | CN | disclosed |