Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | GRM8 | O00222 | 1/20 | 0.50 |
| ▸ | GRM6 | O15303 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | GABRR1 | P24046 | 5/20 | 0.39 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.38 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26377435 | 1.00 | GRM4 (0.50) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 | |
| SCHEMBL24174890 | 1.00 | GRM4 (0.50) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 | |
| SCHEMBL8645945 | 0.86 | GRM4 (0.40) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 | |
| SCHEMBL12950352 | 0.85 | GRM4 (0.38) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 | |
| SCHEMBL10704175 | 0.83 | SLC6A12 (0.45) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 | |
| SCHEMBL17756085 | 0.82 | GRM4 (0.38) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 | |
| SCHEMBL26656015 | 0.82 | GRM4 (0.38) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 | |
| Hydrochloric Acid SCHEMBL9114735 | 0.81 | GABRR1 (0.46) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 | |
| Hydrochloric Acid SCHEMBL9114738 | 0.81 | GABRR1 (0.46) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 | |
| Hydrochloric Acid SCHEMBL9114725 | 0.81 | GABRR1 (0.46) | GRM4CYP2C19ALDH1A1CYP1A2MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013095275-A1 | NOVEL HEPATITIS C VIRUS INHIBITORS | MEDIVIR AB (SE) | 2013-06-27 | — | — | WO | disclosed |
| EP-0571870-B1 | Cyclopentane- and -pentene-beta-amino-acids | BAYER AG (DE) | 1998-08-19 | — | — | EP | disclosed |
| US-5770622-A | APPLYING TO WOOD, LEATHER, POLYMERS, PAPER, WATER | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-23 | — | — | US | disclosed |
| US-5739160-A | MICROBIOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-14 | — | — | US | disclosed |
| US-5631291-A | BACTERICIDES AND FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-05-20 | — | — | US | disclosed |
| EP-0571870-A1 | Cyclopentane- and -pentene-beta-amino-acids | BAYER AG (DE) | 1993-12-01 | — | — | EP | disclosed |