Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9750393 | 0.93 | DRD3 (0.42) | DRD3DRD2HTR2CMTNR1AMTNR1B | |
| SCHEMBL9750418 | 0.85 | DRD3 (0.42) | DRD3DRD2HTR2CMTNR1AMTNR1B | |
| SCHEMBL9749921 | 0.84 | ADRB1 (0.47) | KDM4EALDH1A1 | |
| SCHEMBL9749277 | 0.83 | ALOX5 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9749273 | 0.82 | DRD2 (0.39) | DRD3DRD2HTR2CKDM4EALDH1A1 | |
| SCHEMBL10979580 | 0.80 | DRD2 (0.42) | DRD3DRD2HTR2CKDM4EALDH1A1 | |
| SCHEMBL10984391 | 0.80 | ADRB1 (0.45) | KDM4EALDH1A1 | |
| SCHEMBL10991811 | 0.79 | ADRB1 (0.43) | HSD17B10HTR1A | |
| SCHEMBL9749947 | 0.77 | ADRB2 (0.45) | KDM4EALDH1A1 | |
| SCHEMBL9750388 | 0.76 | HTR4 (0.40) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0131006-B1 | ESTERS OF 3-(3-SUBSTITUTED-AMINO-2-HYDROXYPROPOXY)-4-SUBSTITUTED-1,2,5-THIADIAZOLE DERIVATIVES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-06-10 | — | — | EP | disclosed |
| US-4508725-A | BETA-ADRENERGIC BLOCKING AGENTS; GLAUCOMA TREATMENT | AMERICAN HOSPITAL SUPPLY CORPORATION (US) | 1985-04-02 | — | — | US | disclosed |