Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | PLG | P00747 | 1/20 | 0.30 |
| ▸ | PLAU | P00749 | 1/20 | 0.30 |
| ▸ | PLAT | P00750 | 1/20 | 0.30 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7482739 | 0.78 | CYP1A2 (0.32) | NPC1CYP1A2RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL7550697 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL7554137 | 0.75 | KDM4E (0.31) | MAPT | |
| SCHEMBL7827664 | 0.75 | ROCK2 (0.38) | CYP3A4 | |
| SCHEMBL7512695 | 0.74 | F2 (0.31) | F2PLGPLAUPLATKLKB1 | |
| SCHEMBL7549919 | 0.74 | MAPT (0.39) | NPC1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7550546 | 0.74 | HTR2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL7552145 | 0.74 | MAPT (0.38) | NPC1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7516507 | 0.72 | PNMT (0.42) | — | |
| SCHEMBL7510864 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0861250-B1 | AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2002-02-13 | — | — | EP | claimed |