Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770261 | 0.95 | TSHR (0.55) | TSHRCYP3A4L3MBTL1ALDH1A1FAAH | |
| SCHEMBL28511546 | 0.93 | TSHR (0.52) | TSHRCYP3A4L3MBTL1ALDH1A1FAAH | |
| SCHEMBL29003474 | 0.91 | TSHR (0.54) | TSHRCYP3A4L3MBTL1ALDH1A1FAAH | |
| SCHEMBL9266182 | 0.91 | TSHR (0.54) | TSHRCYP3A4L3MBTL1ALDH1A1FAAH | |
| SCHEMBL19455882 | 0.91 | ALDH1A1 (0.50) | TSHRCYP3A4L3MBTL1ALDH1A1FAAH | |
| SCHEMBL6859069 | 0.91 | ALDH1A1 (0.50) | TSHRCYP3A4L3MBTL1ALDH1A1FAAH | |
| SCHEMBL11685602 | 0.89 | TSHR (0.56) | TSHRCYP3A4L3MBTL1ALDH1A1FAAH | |
| SCHEMBL10897741 | 0.88 | ALDH1A1 (0.48) | TSHRCYP3A4L3MBTL1ALDH1A1FAAH | |
| SCHEMBL29008643 | 0.87 | TSHR (0.54) | TSHRCYP3A4L3MBTL1ALDH1A1FAAH | |
| SCHEMBL19759291 | 0.86 | TSHR (0.58) | TSHRCYP3A4L3MBTL1ALDH1A1FAAH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017140274-A1 | TRICYCLIC COMPOUND SERVING AS IMMUNOMODULATOR | 正大天晴药业集团股份有限公司 | 2017-08-24 | — | — | WO | disclosed |
| US-5998635-A | CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1999-12-07 | — | — | US | disclosed |