Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 9/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | EDNRA | P25101 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11316320 | 0.80 | MAOA (0.50) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL11746504 | 0.80 | MCL1 (0.67) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL6242920 | 0.80 | EDNRA (0.50) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL10372246 | 0.80 | EDNRA (0.50) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL31723117 | 0.75 | CYP1A1 (0.47) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL20919365 | 0.75 | CYP1A1 (0.47) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL10373896 | 0.74 | EDNRA (0.45) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL10373897 | 0.72 | EDNRA (0.43) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL4517758 | 0.72 | MAOA (0.70) | MAOAALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL11485184 | 0.71 | ALDH1A1 (0.55) | MAOAALDH1A1KDM4ELMNANPC1 |
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-3472141-A1 | ANTI-INFECTIVE AGENTS | University Of Dundee (GB) | 2019-04-24 | — | — | EP | disclosed |
| WO-2017221002-A1 | ANTI-INFECTIVE AGENTS | UNIVERSITY OF DUNDEE (GB) | 2017-12-28 | — | — | WO | disclosed |