Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.60 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.54 |
| ▸ | BAD | Q92934 | 1/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | RXRA | P19793 | 1/20 | 0.53 |
| ▸ | RXRB | P28702 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Ethyl Chloride SCHEMBL1241195 | 0.89 | MAPT (0.62) | EGFRSRD5A2EPHX2NR1H4TSHR | |
| Terephthalic Acid SCHEMBL10780545 | 0.89 | EGFR (0.72) | EGFRSRD5A2EPHX2NR1H4TSHR | |
| Biphenyl SCHEMBL27749501 | 0.89 | EGFR (0.72) | EGFRSRD5A2EPHX2NR1H4TSHR | |
| SCHEMBL7155730 | 0.89 | EGFR (0.72) | EGFRSRD5A2EPHX2NR1H4TSHR | |
| Biphenyl SCHEMBL5186249 | 0.89 | EGFR (0.72) | EGFRSRD5A2EPHX2NR1H4TSHR | |
| SCHEMBL38562 | 0.89 | EGFR (0.72) | EGFRSRD5A2EPHX2NR1H4TSHR | |
| Benzene SCHEMBL28431643 | 0.89 | EGFR (0.72) | EGFRSRD5A2EPHX2NR1H4TSHR | |
| SCHEMBL1584121 | 0.86 | EGFR (0.69) | EGFRSRD5A2EPHX2NR1H4TSHR | |
| Methane SCHEMBL20584283 | 0.86 | EGFR (0.69) | EGFRSRD5A2EPHX2NR1H4TSHR | |
| Benzoic Acid SCHEMBL4823179 | 0.86 | TSHR (0.74) | EGFRSRD5A2EPHX2NR1H4TSHR |
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-104470902-B | N- (3-heteroarylaryl) -4-arylarylarylcarboxamides and analogs as Hedgehog pathway inhibitors and uses thereof | 南京英派药业有限公司 | 2017-05-24 | — | — | CN | disclosed |