Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | USP2 | O75604 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9768740 | 0.92 | CYP2D6 (0.53) | ALDH1A1USP2ALOX15TP53CYP3A4 | |
| Hydrochloric Acid SCHEMBL9768751 | 0.88 | ALDH1A1 (0.44) | ALDH1A1USP2ALOX15TP53CYP3A4 | |
| SCHEMBL9768745 | 0.88 | TP53 (0.62) | ALDH1A1USP2ALOX15TP53CYP3A4 | |
| SCHEMBL9768785 | 0.81 | NPC1 (0.53) | ALDH1A1TP53HTT | |
| SCHEMBL9768706 | 0.78 | MAPT (0.44) | ALDH1A1TP53KMT2AHTTKDM4E | |
| SCHEMBL9768762 | 0.78 | NPC1 (0.40) | ALDH1A1TP53MEN1KMT2AHTT | |
| SCHEMBL9768832 | 0.78 | MTNR1A (0.40) | TP53CYP3A4MEN1KMT2AHTT | |
| SCHEMBL9768739 | 0.78 | GRM7 (0.38) | ALDH1A1TP53CYP3A4CYP2D6MEN1 | |
| SCHEMBL9768744 | 0.76 | NR1I3 (0.44) | ALDH1A1TP53CYP2D6GAAPOLB | |
| SCHEMBL9768823 | 0.76 | KDM4E (0.46) | ALDH1A1TP53MEN1KMT2APOLB |
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 |