Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.77 |
| ▸ | TYMS | P04818 | 3/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.77 |
| ▸ | MEN1 | O00255 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.77 |
| ▸ | POLB | P06746 | 1/20 | 0.77 |
| ▸ | GAA | P10253 | 1/20 | 0.77 |
| ▸ | HPGD | P15428 | 1/20 | 0.77 |
| ▸ | TSHR | P16473 | 1/20 | 0.77 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.77 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | DHFR | P00374 | 5/20 | 0.55 |
| ▸ | GART | P22102 | 2/20 | 0.51 |
| ▸ | ATIC | P31939 | 1/20 | 0.51 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14323639 | 1.00 | AKR1B1 (0.77) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL40319 | 1.00 | AKR1B1 (0.77) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL30185625 | 1.00 | AKR1B1 (0.77) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL2273314 | 0.94 | AKR1B1 (0.73) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL1804092 | 0.94 | TYMS (0.70) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL17061093 | 0.94 | AKR1B1 (0.73) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL30174303 | 0.92 | AKR1B1 (0.81) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL15094347 | 0.92 | AKR1B1 (0.81) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL28141926 | 0.92 | AKR1B1 (0.77) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL28226859 | 0.91 | AKR1B1 (0.80) | AKR1B1TYMSKDM4EMEN1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160058766-A1 | ASSAYS AND METHODS FOR SELECTING A TREATMENT REGIMEN FOR A SUBJECT WITH DEPRESSION | ALFASIGMA S.P.A. (IT) | 2016-03-03 | — | — | US | disclosed |
| EP-2973135-A1 | ASSAYS AND METHODS FOR SELECTING A TREATMENT REGIMEN FOR A SUBJECT WITH DEPRESSION | Nestec S.A. (CH) | 2016-01-20 | — | — | EP | disclosed |
| WO-2015136446-A1 | METHODS FOR SELECTING ANTIDEPRESSANT DRUG THERAPY TO TREAT DEPRESSION | NESTEC S.A. (CH) | 2015-09-17 | — | — | WO | disclosed |
| WO-2014164882-A1 | ASSAYS AND METHODS FOR SELECTING A TREATMENT REGIMEN FOR A SUBJECT WITH DEPRESSION | NESTEC S.A. (CH) | 2014-10-09 | — | — | WO | disclosed |