Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9768760 | 0.89 | KDM4E (0.48) | ALDH1A1KDM4EHSD17B10TDP1CA12 | |
| SCHEMBL10444817 | 0.85 | KDM4E (0.48) | ALDH1A1KDM4EHSD17B10TDP1CA12 | |
| Hydrochloric Acid SCHEMBL9768887 | 0.84 | KDM4E (0.47) | ALDH1A1KDM4EHSD17B10TDP1CA12 | |
| SCHEMBL9768785 | 0.83 | NPC1 (0.53) | ALDH1A1CA9NPC1MITFRAB9A | |
| SCHEMBL9768711 | 0.76 | NPC1 (0.45) | ALDH1A1KDM4ENPC1MITFRAB9A | |
| SCHEMBL9768696 | 0.74 | KDM4E (0.46) | ALDH1A1KDM4EHSD17B10TDP1CA12 | |
| SCHEMBL9768766 | 0.73 | NPC1 (0.45) | ALDH1A1TDP1NPC1MITFRAB9A | |
| SCHEMBL9768779 | 0.73 | NPC1 (0.45) | ALDH1A1KDM4ENPC1MITFRAB9A | |
| SCHEMBL9768762 | 0.73 | NPC1 (0.40) | ALDH1A1CA9NPC1MITFRAB9A | |
| SCHEMBL9768718 | 0.72 | NR1I2 (0.46) | ALDH1A1CA12CA9NPC1MITF |
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 |