Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.65 |
| ▸ | MAPT | P10636 | 5/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.65 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL623853 | 0.79 | ALDH1A1 (0.65) | ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2 | |
| SCHEMBL11361854 | 0.79 | ALDH1A1 (0.65) | ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2 | |
| SCHEMBL31412159 | 0.79 | ALDH1A1 (1.00) | ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2 | |
| SCHEMBL12876582 | 0.79 | ALDH1A1 (0.65) | ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2 | |
| SCHEMBL624093 | 0.79 | ALDH1A1 (0.65) | ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2 | |
| SCHEMBL24721067 | 0.75 | ALDH1A1 (0.59) | ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2 | |
| SCHEMBL1198267 | 0.75 | KDM4E (0.59) | ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2 | |
| SCHEMBL24304833 | 0.73 | ALDH1A1 (0.55) | ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2 | |
| SCHEMBL8411578 | 0.71 | ALDH1A1 (0.53) | ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2 | |
| SCHEMBL28154714 | 0.70 | ALDH1A1 (0.54) | ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2 |
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-1492567-A1 | FORMULATIONS AND METHODS OF USING NITRIC OXIDE MIMETICS IN CANCER TREATMENT | Cellegy Pharmaceuticals, Inc (US) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003074082-A1 | FORMULATIONS AND METHODS OF USING NITRIC OXIDE MIMETICS IN CANCER TREATMENT | CELLEGY PHARMACEUTICALS, INC. (CA) | 2003-09-12 | — | — | WO | disclosed |