Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGAV | P06756 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 5/20 | 0.44 |
| ▸ | HTR3B | O95264 | 5/20 | 0.44 |
| ▸ | HTR3A | P46098 | 5/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 5/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 5/20 | 0.44 |
| ▸ | PLAU | P00749 | 4/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.44 |
| ▸ | SLC22A3 | O75751 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11878247 | 0.78 | HTR3E (0.44) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL10713216 | 0.78 | CYP2A6 (0.39) | ITGB3ITGAVCYP2D6CYP2C19TDP1 | |
| SCHEMBL10712015 | 0.78 | VCAM1 (0.42) | CYP2D6CYP2C19TDP1ALDH1A1KMT2A | |
| SCHEMBL4480691 | 0.76 | ITGB3 (0.72) | ITGB3ITGAVHTR3EHTR3BHTR3A | |
| SCHEMBL11882119 | 0.73 | ITGB3 (0.49) | ITGB3ITGAVHTR3EHTR3BHTR3A | |
| SCHEMBL11881522 | 0.73 | ITGB3 (0.49) | ITGB3ITGAVHTR3EHTR3BHTR3A | |
| SCHEMBL10592734 | 0.73 | ALDH1A1 (0.54) | ITGB3ITGAVHTR3EHTR3BHTR3A | |
| SCHEMBL11882766 | 0.73 | PLAU (0.49) | ITGB3ITGAVHTR3EHTR3BHTR3A | |
| SCHEMBL23088100 | 0.73 | CYP2A6 (0.38) | CYP2D6CYP2C19ALDH1A1KMT2ACYP2A6 | |
| SCHEMBL20562561 | 0.72 | HTR3E (0.52) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3976643-A | FROM AN ANILINE AND CYANAMIDE | WILLIAM H. RORER, INC. (US) | 1976-08-24 | — | — | US | disclosed |