Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | F3 | P13726 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.51 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2234643 | 1.00 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL6749772 | 0.86 | CYP3A4 (0.60) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL6749768 | 0.86 | CYP3A4 (0.60) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL2231484 | 0.84 | ALDH1A1 (0.60) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL2231488 | 0.84 | ALDH1A1 (0.60) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL28539743 | 0.84 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL934677 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL934675 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL17203947 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL5870890 | 0.84 | MAOB (0.54) | CYP1A2MAPTNPC1RAB9AALDH1A1 |
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-2011092505-A1 | S100 PROTEIN BINDING INTERACTION INHIBITORS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2011-08-04 | — | — | WO | disclosed |