Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | METAP1 | P53582 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
| ▸ | PRKCA | P17252 | 1/20 | 0.46 |
| ▸ | F12 | P00748 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11361335 | 0.82 | ADORA3 (0.50) | MEN1KMT2AGPR35NPC1RAB9A | |
| SCHEMBL11363871 | 0.82 | ADORA3 (0.50) | MEN1KMT2AGPR35NPC1RAB9A | |
| SCHEMBL11367019 | 0.82 | ADORA3 (0.50) | MEN1KMT2AGPR35NPC1RAB9A | |
| SCHEMBL10389484 | 0.77 | ADORA3 (0.55) | MEN1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL13730584 | 0.77 | CCR1 (0.55) | MEN1KMT2AGPR35MAPTNPC1 | |
| SCHEMBL935201 | 0.76 | CCR1 (0.44) | MEN1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL935711 | 0.76 | CCR1 (0.56) | MEN1KMT2AMAPTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL11361908 | 0.75 | CCR1 (0.42) | MEN1KMT2AMAPTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL11370119 | 0.75 | CCR1 (0.54) | MEN1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL12825223 | 0.75 | MEN1 (0.58) | MEN1KMT2AGPR35MAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006536-A1 | PYRIDYL-SUBSTITUTED ISOQUINOLINE DERIVATIVES WITH ACTIVITY AGAINSTMYCOBACTERIAAND ESPECIALLY MYOBACTERIUM TUBERCULOSIS | DAFRA PHARMA N.V. (BE) | 2011-01-20 | — | — | WO | disclosed |