Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1241995 | 0.89 | ALDH1A1 (0.44) | ALDH1A1TDP1KDM4EABCB1ABCC1 | |
| SCHEMBL27732126 | 0.82 | KDM4E (0.40) | ALDH1A1TDP1KDM4EABCB1ABCC1 | |
| SCHEMBL535175 | 0.81 | ALDH1A1 (0.40) | ALDH1A1TDP1ESR1PTGS2KDM4E | |
| SCHEMBL27661302 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TDP1KDM4EABCB1ABCC1 | |
| SCHEMBL7397942 | 0.80 | VCAM1 (0.50) | ALDH1A1TDP1ESR1KDM4EPKM | |
| SCHEMBL8068000 | 0.75 | MAOB (0.50) | ALDH1A1TDP1L3MBTL1RAB9A | |
| SCHEMBL3007205 | 0.75 | CYP1A2 (0.50) | KDM4EABCB1ABCC1CYP1A2PDK1 | |
| SCHEMBL29433438 | 0.75 | CYP1A2 (0.50) | KDM4EABCB1ABCC1CYP1A2PDK1 | |
| SCHEMBL4772614 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TDP1KDM4EL3MBTL1 | |
| SCHEMBL4773161 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TDP1KDM4ERAB9A |
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-1696914-A1 | 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058318-A1 | 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-06-30 | — | — | WO | disclosed |