Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.51 |
| ▸ | TUBB | P07437 | 1/20 | 0.51 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.51 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.51 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.51 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.51 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.51 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.51 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.51 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.51 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.51 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.51 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.51 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.51 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 3/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7684002 | 0.88 | TUBB4A (0.49) | GRM5TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL7688439 | 0.79 | TUBB4A (0.51) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL786735 | 0.78 | TUBB4A (0.62) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL7692930 | 0.75 | AURKA (0.45) | AURKAFLT3CYP3A4ALDH1A1MAPT | |
| SCHEMBL7689296 | 0.75 | AURKA (0.47) | AURKACYP3A4RECQLL3MBTL1TSHR | |
| SCHEMBL24029047 | 0.75 | GRM5 (0.56) | GRM5IDO1HPGDALDH1A1HTT | |
| SCHEMBL24210018 | 0.75 | GRM5 (0.56) | GRM5IDO1HPGDALDH1A1HTT | |
| SCHEMBL7688350 | 0.75 | AURKA (0.46) | AURKAFLT3TYRO3MERTKGAS6 | |
| SCHEMBL7693803 | 0.75 | TUBB4A (0.47) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL7702493 | 0.73 | AURKA (0.46) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |