Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | F2R | P25116 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.40 |
| ▸ | WNT3A | P56704 | 3/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5158700 | 0.86 | RXFP1 (0.44) | ALDH1A1ALOX15TSHRCES2CES1 | |
| SCHEMBL8166175 | 0.82 | ERCC5 (0.57) | ALDH1A1F2RALOX15HPGDTSHR | |
| SCHEMBL11836782 | 0.82 | CES2 (0.57) | ALDH1A1KDM4EMAPTF2RALOX15 | |
| SCHEMBL3121320 | 0.82 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTF2RALOX15 | |
| SCHEMBL4116766 | 0.81 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTF2RALOX15 | |
| SCHEMBL13263817 | 0.81 | ESR1 (0.46) | ALDH1A1KDM4EMAPTF2RALOX15 | |
| SCHEMBL1260174 | 0.81 | ALB (0.56) | ALDH1A1KDM4EMAPTF2RALOX15 | |
| SCHEMBL24157475 | 0.79 | F2R (0.47) | ALDH1A1KDM4EMAPTF2RALOX15 | |
| SCHEMBL6744512 | 0.79 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTF2RALOX15 | |
| Alcohol SCHEMBL3646461 | 0.79 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTF2RALOX15 |
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-2619178-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2013-07-31 | — | — | EP | claimed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | claimed |