Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10263826 | 0.84 | ALDH1A1 (0.40) | KDM4EPOLBTACR1CA1ALDH1A1 | |
| SCHEMBL8743637 | 0.83 | TSHR (0.52) | TSHRKDM4EPOLBTACR1CA1 | |
| SCHEMBL533909 | 0.82 | IDO1 (0.41) | KDM4EALDH1A1L3MBTL1MAPTKMT2A | |
| SCHEMBL10661588 | 0.82 | TSHR (0.42) | TSHRKDM4EPOLBTACR1ALDH1A1 | |
| SCHEMBL10202406 | 0.81 | APP (0.41) | POLBTACR1ALDH1A1L3MBTL1MAPT | |
| SCHEMBL21540753 | 0.79 | TSHR (0.52) | TSHRKDM4EPOLBTACR1CA1 | |
| SCHEMBL9276198 | 0.79 | KDM4E (0.62) | TSHRKDM4EPOLBTACR1CA1 | |
| SCHEMBL18640775 | 0.79 | TSHR (0.56) | TSHRKDM4EPOLBTACR1CA1 | |
| SCHEMBL9277207 | 0.78 | TSHR (0.42) | TSHRKDM4EPOLBTACR1CA1 | |
| SCHEMBL8157722 | 0.78 | ALDH1A1 (0.61) | TSHRKDM4EPOLBTACR1CA1 |
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-2010114978-A1 | RENIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |