Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.38 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.38 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.38 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.38 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.38 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.38 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26658607 | 0.65 | MAOA (0.46) | SMN1; SMN2NPC1TUBB4ATUBBTUBA3C | |
| SCHEMBL8483625 | 0.64 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1TUBB4ATUBBTUBA3C | |
| SCHEMBL148871 | 0.61 | TUBB4A (0.48) | SMN1; SMN2NPC1TUBB4ATUBBTUBA3C | |
| SCHEMBL23392268 | 0.60 | ALDH1A1 (0.50) | SMN1; SMN2NPC1ALDH1A1KDM4EHPGD | |
| Perchlorate SCHEMBL3324211 | 0.59 | RAC1 (0.38) | NPC1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL679526 | 0.58 | ACHE (0.60) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL8487052 | 0.58 | MAOA (0.53) | SMN1; SMN2NPC1TUBB4ATUBBTUBA3C | |
| SCHEMBL28950290 | 0.58 | TUBB4A (0.69) | SMN1; SMN2NPC1TUBB4ATUBBTUBA3C | |
| SCHEMBL13744500 | 0.56 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1TUBB4ATUBBTUBA3C | |
| SCHEMBL5021946 | 0.56 | PDE3B (0.49) | ALDH1A1KDM4EHPGDHSD17B10CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-4822800-A | Isoquinolinol compounds having cardiotonic and phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-04-18 | — | — | US | disclosed |