Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | CTSB | P07858 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12448371 | 0.84 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL12448375 | 0.84 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL1667288 | 0.83 | KMT2A (0.60) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL31378679 | 0.83 | KMT2A (0.60) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL12448366 | 0.83 | KMT2A (0.60) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL23212274 | 0.82 | SMN1; SMN2 (0.56) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL17652775 | 0.81 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL7516863 | 0.81 | SMN1; SMN2 (0.57) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL3944864 | 0.80 | CTSB (0.60) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL4863640 | 0.80 | USP2 (0.62) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000064864-A9 | N-PROTECTED AMINES AND THEIR USE AS PRODRUGS | CANCER RES CAMPAIGN TECH (GB) | 2001-12-27 | — | — | WO | disclosed |