Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9768700 | 0.92 | HSD17B10 (0.42) | CYP2D6CYP3A4NR1I3MAPTHSD17B10 | |
| SCHEMBL9768990 | 0.91 | ALDH1A1 (0.45) | CYP2D6CYP3A4MAPTALDH1A1KMT2A | |
| SCHEMBL9768899 | 0.89 | ALDH1A1 (0.46) | CYP2D6MAPTALDH1A1LMNAKMT2A | |
| SCHEMBL9768722 | 0.85 | NPC1 (0.44) | MAPTALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL9768740 | 0.83 | CYP2D6 (0.53) | CYP2D6CYP3A4NR1I3MAPTHSD17B10 | |
| Hydrochloric Acid SCHEMBL9768729 | 0.82 | MAPT (0.39) | NR1I3MAPTALDH1A1LMNAKMT2A | |
| Hydrochloric Acid SCHEMBL9768816 | 0.79 | MAPT (0.35) | CYP2D6CYP3A4MAPTALDH1A1LMNA | |
| SCHEMBL9768831 | 0.76 | ALDH1A1 (0.56) | CYP2D6CYP3A4NR1I3MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL9768751 | 0.74 | ALDH1A1 (0.44) | CYP2D6CYP3A4ALDH1A1LMNAKMT2A | |
| SCHEMBL9768745 | 0.72 | TP53 (0.62) | CYP2D6CYP3A4MAPTALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5011833-A | Antidepressant | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE (IT) | 1991-04-30 | — | — | US | disclosed |
| EP-0354885-A1 | Novel derivatives of 6,11-dihydro-dibenzo[c,f][1,2,5]-thiadiazepine 5,5-dioxide, salts thereof and appropriate processes for the preparation thereof | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 1990-02-14 | — | — | EP | disclosed |