Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PNLIP | P16233 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2128103 | 0.84 | ALDH1A1 (0.47) | ALDH1A1KMT2APARP10PNLIPPOLB | |
| SCHEMBL339527 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KMT2APARP10PNLIPPOLB | |
| SCHEMBL1052924 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KMT2APARP10POLBGLA | |
| SCHEMBL4962026 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KMT2APARP10PNLIPPOLB | |
| SCHEMBL4237202 | 0.78 | TRPA1 (0.50) | ALDH1A1KMT2APARP10POLBGLA | |
| SCHEMBL2102755 | 0.77 | NPC1 (0.53) | ALDH1A1KMT2APOLBMEN1LMNA | |
| SCHEMBL14949898 | 0.76 | ALDH1A1 (0.43) | ALDH1A1KMT2APARP10POLBGLA | |
| SCHEMBL4928818 | 0.76 | ALDH1A1 (0.43) | ALDH1A1KMT2APARP10POLBGLA | |
| SCHEMBL31617906 | 0.76 | ALDH1A1 (0.47) | ALDH1A1KMT2APARP10PNLIPPOLB | |
| SCHEMBL6513965 | 0.75 | NPC1 (0.52) | ALDH1A1KMT2APOLBMEN1LMNA |
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-6110961-A | USEFUL IN PROPHYLAXIS AND TREATMENT OF MENTAL DISORDERS, SUCH AS DEPRESSION, ANXIETY | KRENITSKY PHARMACEUTICALS, INC. (US) | 2000-08-29 | — | — | US | disclosed |
| EP-1021434-A2 | PHARMACOLOGICALLY ACTIVE COMPOUNDS AND USE | Krenitsky Pharmaceuticals, Inc. (US) | 2000-07-26 | — | — | EP | disclosed |
| WO-1998012190-A2 | PHENOXATHIIN DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE | KRENITSKY PHARMACEUTICAL, INC. (US) | 1998-03-26 | — | — | WO | disclosed |