Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL13268997 | 0.84 | KMO (0.54) | TSHRKMOSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11674643 | 0.82 | KMO (0.57) | TSHRKMOSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL3902501 | 0.82 | KMO (0.57) | TSHRKMOSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL665155 | 0.80 | TSHR (0.57) | TSHRKMOSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL15535905 | 0.76 | TSHR (0.45) | TSHRKMOSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL31386224 | 0.75 | HTR2A (0.46) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL13163577 | 0.74 | GRM7 (0.43) | TSHRKMOIKBKBTDP1ALDH1A1 | |
| SCHEMBL3241051 | 0.74 | TP53 (0.64) | IKBKBALDH1A1MAPTTAS1R3TAS1R1 | |
| SCHEMBL24213990 | 0.71 | TSHR (0.46) | TSHRKMOSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11789159 | 0.71 | KMO (0.43) | KMO |
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 |
|---|---|---|---|---|---|---|---|
| EP-2855428-A1 | N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN | Genentech, Inc. (US) | 2015-04-08 | — | — | EP | disclosed |
| WO-2013177224-A1 | N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN | GENENTECH, INC. (US) | 2013-11-28 | — | — | WO | disclosed |