Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GPR3 | P46089 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CKS1B | P61024 | 1/20 | 0.43 |
| ▸ | SKP1 | P63208 | 1/20 | 0.43 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL913394 | 0.94 | AKT1 (0.64) | AKT1TDP1CTDSP1KDM4EGPR3 | |
| SCHEMBL29576853 | 0.94 | AKT1 (0.64) | AKT1TDP1CTDSP1KDM4EGPR3 | |
| SCHEMBL17942576 | 0.80 | AKT1 (0.48) | AKT1TDP1CTDSP1KDM4EGPR3 | |
| SCHEMBL14359421 | 0.80 | AKT1 (0.44) | AKT1TDP1CTDSP1KDM4EGPR3 | |
| SCHEMBL12145842 | 0.80 | NPC1 (0.45) | AKT1TDP1CTDSP1KDM4EGPR3 | |
| SCHEMBL24504040 | 0.80 | AKT1 (0.44) | AKT1TDP1CTDSP1KDM4EGPR3 | |
| SCHEMBL28544108 | 0.80 | AKT1 (0.44) | AKT1TDP1CTDSP1KDM4EGPR3 | |
| SCHEMBL18648904 | 0.78 | AKT1 (0.46) | AKT1TDP1CTDSP1KDM4EGPR3 | |
| SCHEMBL12202297 | 0.77 | AKT1 (0.49) | AKT1TDP1CTDSP1TAAR1NPC1 | |
| SCHEMBL18104285 | 0.76 | AKT1 (0.48) | AKT1KDM4EGPR3NPC1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013003315-A2 | METHODS FOR PREPARING ISOQUINOLINES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-01-03 | — | — | WO | disclosed |
| WO-2013003315-A2 | METHODS FOR PREPARING ISOQUINOLINES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-01-03 | — | — | WO | disclosed |