Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12507826 | 0.84 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2HTTMAPT | |
| SCHEMBL1503612 | 0.83 | HTT (0.58) | NPC1RAB9ASMN1; SMN2GAACYP2C19 | |
| SCHEMBL10703849 | 0.81 | HTT (0.57) | NPC1RAB9ASMN1; SMN2CYP2C19HTT | |
| SCHEMBL2015592 | 0.80 | HTT (0.62) | NPC1RAB9ASMN1; SMN2GAACYP2C19 | |
| SCHEMBL31563510 | 0.76 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2GAACYP2C19 | |
| SCHEMBL30148008 | 0.75 | SMN1; SMN2 (0.67) | NPC1RAB9ASMN1; SMN2GAACYP2C19 | |
| SCHEMBL12524669 | 0.75 | HTT (0.56) | NPC1RAB9ASMN1; SMN2GAACYP2C19 | |
| SCHEMBL6694651 | 0.75 | SMN1; SMN2 (0.67) | NPC1RAB9ASMN1; SMN2GAACYP2C19 | |
| SCHEMBL27193044 | 0.75 | RAB9A (0.77) | NPC1RAB9ASMN1; SMN2GAACYP2C19 | |
| SCHEMBL13860775 | 0.74 | TP53 (0.58) | NPC1RAB9ASMN1; SMN2GAACYP2C19 |
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-1577301-B1 | Antithrombotic diaminocyclohexane derivatives | DAIICHI SANKYO CO LTD (JP) | 2012-09-12 | — | — | EP | disclosed |