Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | TDO2 | P48775 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | ROS1 | P08922 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11258335 | 0.88 | ALDH1A1 (0.39) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL11256693 | 0.88 | ALDH1A1 (0.39) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL11257847 | 0.85 | HTR2B (0.45) | NPC1RAB9AKMT2AKDM4ELMNA | |
| SCHEMBL11254310 | 0.84 | MEN1 (0.43) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL11261678 | 0.84 | TDP1 (0.45) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL11261674 | 0.82 | TDO2 (0.36) | NPC1RAB9AMEN1KMT2AIDO1 | |
| SCHEMBL11253776 | 0.80 | ROS1 (0.41) | RAB9AMEN1KMT2AKDM4ELMNA | |
| SCHEMBL11257966 | 0.80 | ROS1 (0.46) | MEN1KMT2AKDM4EMAPTALDH1A1 | |
| SCHEMBL11266092 | 0.80 | ROS1 (0.37) | MAPTALDH1A1ROS1RPS6KB1GAA | |
| SCHEMBL11500393 | 0.79 | PTGDR2 (0.45) | MEN1KMT2AKDM4ELMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4337256-A | ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS | TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) | 1982-06-29 | — | — | US | disclosed |
| EP-0013411-A1 | Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them | TEIKOKU HORMONE MFG. CO., LTD. (JP) | 1980-07-23 | — | — | EP | disclosed |