Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7861366 | 0.82 | HRH3 (0.38) | TAAR1NPC1RAB9ANPSR1 | |
| SCHEMBL7558936 | 0.81 | TAAR1 (0.52) | TAAR1F2RL1SMN1; SMN2NPC1MAPT | |
| SCHEMBL6341 | 0.80 | IDO1 (0.55) | TAAR1SMN1; SMN2NPC1RAB9AMAOB | |
| SCHEMBL19554068 | 0.79 | TAAR1 (0.57) | TAAR1SIGMAR1AOC3IDO1 | |
| SCHEMBL11129563 | 0.78 | MAPT (0.49) | SMN1; SMN2NPC1MAPTRAB9ACA12 | |
| SCHEMBL2846166 | 0.77 | TAAR1 (0.61) | TAAR1F2RL1SMN1; SMN2NPC1MAPT | |
| SCHEMBL792026 | 0.77 | TAAR1 (0.61) | TAAR1F2RL1SMN1; SMN2NPC1MAPT | |
| SCHEMBL2093903 | 0.77 | DAO (0.46) | — | |
| SCHEMBL5535267 | 0.77 | FFAR1 (0.61) | NPC1RAB9AMAOBCA12CA1 | |
| SCHEMBL834551 | 0.76 | TAAR1 (0.73) | TAAR1F2RL1MAOBCALM1SIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2569316-B1 | PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES | ABBVIE INC (US) | 2014-04-23 | — | — | EP | disclosed |
| EP-0539372-A1 | THERAPEUTIC AGENTS | The Boots Company PLC (GB) | 1993-05-05 | — | — | EP | disclosed |
| WO-1991011448-A1 | THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1991-08-08 | — | — | WO | disclosed |