Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13949514 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C19POLBMAPT | |
| SCHEMBL2719675 | 0.77 | HRH3 (0.69) | CYP1A2CYP2D6CYP2C19MAPTALDH1A1 | |
| SCHEMBL12448375 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C19POLBMAPT | |
| SCHEMBL12448371 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C19POLBMAPT | |
| SCHEMBL28431640 | 0.76 | NPC1 (0.52) | CYP1A2CYP2D6POLBALDH1A1KDM4E | |
| SCHEMBL1667288 | 0.75 | KMT2A (0.60) | CYP1A2CYP2D6CYP2C19POLBMAPT | |
| SCHEMBL31378679 | 0.75 | KMT2A (0.60) | CYP1A2CYP2D6CYP2C19POLBMAPT | |
| SCHEMBL12448366 | 0.75 | KMT2A (0.60) | CYP1A2CYP2D6CYP2C19POLBMAPT | |
| SCHEMBL7966740 | 0.74 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C19POLBMAPT | |
| SCHEMBL2183432 | 0.74 | KDM4E (0.56) | CYP1A2CYP2D6CYP2C19POLBALDH1A1 |
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-1173414-A1 | N-PROTECTED AMINES AND THEIR USE AS PRODRUGS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000064864-A1 | N-PROTECTED AMINES AND THEIR USE AS PRODRUGS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-11-02 | — | — | WO | disclosed |