Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CTSD | P07339 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CFTR | P13569 | 1/20 | 0.57 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.57 |
| ▸ | NAMPT | P43490 | 3/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | RAD52 | P43351 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28220870 | 0.83 | MEN1 (0.56) | ALDH1A1TDP1NPC1RAB9APKM | |
| Hydrazobenzene SCHEMBL8740438 | 0.82 | TDP1 (0.67) | ALDH1A1CTSDTDP1NPC1RAB9A | |
| SCHEMBL4591751 | 0.81 | KMT2A (0.61) | ALDH1A1TDP1NPC1RAB9APKM | |
| SCHEMBL29845262 | 0.81 | KMT2A (0.61) | ALDH1A1TDP1NPC1RAB9APKM | |
| SCHEMBL18021901 | 0.79 | — | — | |
| SCHEMBL27949708 | 0.79 | — | — | |
| SCHEMBL27794939 | 0.79 | — | — | |
| SCHEMBL5266703 | 0.79 | — | — | |
| SCHEMBL9551726 | 0.79 | — | — | |
| SCHEMBL1783160 | 0.79 | — | — |
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-1888530-A2 | QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006120478-A2 | QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-11-16 | — | — | WO | disclosed |