Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A1 | P43005 | 3/20 | 0.49 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17688149 | 0.79 | TSHR (0.47) | TSHRALOX5TACR1IDO1 | |
| SCHEMBL16406071 | 0.79 | TSHR (0.47) | TSHRALOX5TACR1IDO1 | |
| SCHEMBL17688147 | 0.79 | TSHR (0.47) | TSHRALOX5TACR1IDO1 | |
| SCHEMBL1524101 | 0.75 | TSHR (0.67) | TSHRALOX5TACR1IDO1 | |
| SCHEMBL1524411 | 0.75 | TSHR (0.67) | TSHRALOX5TACR1IDO1 | |
| SCHEMBL1524098 | 0.75 | TSHR (0.67) | TSHRALOX5TACR1IDO1 | |
| SCHEMBL24434511 | 0.75 | TSHR (0.50) | KMT2ATSHRALOX5MAPTTACR1 | |
| SCHEMBL6223013 | 0.75 | HCAR2 (0.56) | CYP2D6CYP2C19KMT2ATSHRPKM | |
| SCHEMBL6223018 | 0.75 | HCAR2 (0.56) | CYP2D6CYP2C19KMT2ATSHRPKM | |
| SCHEMBL9007865 | 0.74 | HTT (0.51) | KMT2ATSHRALOX5MAPTFOLH1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5710324-A | AMINE CONTAINING COMPOUNDS | MERRELL PHARMACEUTICALS INC. (US) | 1998-01-20 | — | — | US | disclosed |
| US-5318992-A | Administering for the treatment of hypotensive conditions and shock | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-06-07 | — | — | US | disclosed |
| EP-0446699-A1 | Inhibitors of nitric oxide biosynthesis | MERRELL PHARMACEUTICALS INC. (US) | 1991-09-18 | — | — | EP | disclosed |