Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23750706 | 0.85 | TSHR (0.50) | TSHRKDM4EPOLBCA1CA2 | |
| SCHEMBL10359644 | 0.83 | TDP1 (0.42) | TSHRKDM4EALDH1A1TDP1L3MBTL1 | |
| SCHEMBL3953601 | 0.82 | TSHR (0.47) | TSHRKDM4EPOLBCA1CA2 | |
| SCHEMBL4889465 | 0.81 | TSHR (0.50) | TSHRKDM4EPOLBCA1TACR1 | |
| SCHEMBL6043011 | 0.80 | TSHR (0.58) | TSHRKDM4EPOLBCA1CA2 | |
| SCHEMBL27283534 | 0.80 | TSHR (0.44) | TSHRKDM4EPOLBCA1CA2 | |
| SCHEMBL10359442 | 0.79 | TACR1 (0.35) | TSHRKDM4EPOLBTACR1ALDH1A1 | |
| SCHEMBL3474055 | 0.79 | TSHR (0.56) | TSHRKDM4EPOLBCA1CA2 | |
| SCHEMBL1691827 | 0.78 | TSHR (0.61) | TSHRKDM4EPOLBCA1CA2 | |
| SCHEMBL10507002 | 0.78 | POLB (0.51) | TSHRKDM4EPOLBCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005012209-A2 | CATALYZED ENANTIOSELECTIVE TRANSFORMATION OF ALKENES | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2005-02-10 | — | — | WO | disclosed |