Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.49 |
| ▸ | HTR3B | O95264 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | HTR3A | P46098 | 2/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.49 |
| ▸ | THPO | P40225 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8923621 | 0.83 | HTR3A (0.50) | KDM4EALDH1A1HTR3AHTR1ANPC1 | |
| SCHEMBL8922476 | 0.81 | ALDH1A1 (0.44) | KDM4EALDH1A1HTR1AHTR2CSLC6A4 | |
| SCHEMBL8631634 | 0.79 | HRH3 (0.59) | HRH3KDM4EALDH1A1HTR3EHTR3B | |
| SCHEMBL8924034 | 0.75 | DRD3 (0.51) | ALDH1A1HTR1ANPC1RAB9ADRD2 | |
| SCHEMBL1388946 | 0.71 | HRH3 (0.49) | HRH3KDM4EALDH1A1HTR3EHTR3B | |
| SCHEMBL3970431 | 0.70 | HRH3 (1.00) | HRH3KDM4EALDH1A1HTR3EHTR3B | |
| SCHEMBL8896996 | 0.70 | HRH3 (0.72) | HRH3KDM4EALDH1A1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL3973471 | 0.69 | HRH3 (0.97) | HRH3KDM4EALDH1A1HTR3EHTR3B | |
| SCHEMBL647772 | 0.68 | HTR1A (0.65) | HRH3KDM4EALDH1A1HTR3EHTR3B | |
| SCHEMBL606721 | 0.68 | HRH3 (1.00) | HRH3KDM4EALDH1A1HTR3EHTR3B |
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-5686480-A | Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype ligands | MERCK, SHARP & DOHME, LTD. (GB) | 1997-11-11 | — | — | US | claimed |
| US-5686480-A | Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype ligands | MERCK, SHARP & DOHME, LTD. (GB) | 1997-11-11 | — | — | US | disclosed |