Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.44 |
| ▸ | CDK4 | P11802 | 4/20 | 0.39 |
| ▸ | CCND1 | P24385 | 4/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6557820 | 1.00 | ACHE (0.44) | ACHECDK4CCND1CHRM3CCNT1 | |
| SCHEMBL6558345 | 1.00 | ACHE (0.44) | ACHECDK4CCND1CHRM3CCNT1 | |
| SCHEMBL6558340 | 1.00 | ACHE (0.44) | ACHECDK4CCND1CHRM3CCNT1 | |
| SCHEMBL6557810 | 0.85 | ACHE (0.45) | ACHECDK4CCND1MAPTMEN1 | |
| SCHEMBL6556611 | 0.85 | ACHE (0.45) | ACHECDK4CCND1MAPTMEN1 | |
| SCHEMBL6556616 | 0.85 | ACHE (0.45) | ACHECDK4CCND1MAPTMEN1 | |
| SCHEMBL6557805 | 0.85 | ACHE (0.45) | ACHECDK4CCND1MAPTMEN1 | |
| SCHEMBL6556484 | 0.82 | HTR1A (0.43) | ACHEMEN1KMT2AHTR2BHTR2A | |
| SCHEMBL6556401 | 0.82 | HTR1A (0.43) | ACHEMEN1KMT2AHTR2BHTR2A | |
| SCHEMBL6556404 | 0.82 | HTR1A (0.43) | ACHEMEN1KMT2AHTR2BHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0958285-B1 | TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES | HOFFMANN LA ROCHE (CH) | 2004-01-07 | — | — | EP | disclosed |
| US-6310208-B1 | Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines | HOFFMANN-LA ROCHE INC. | 2001-10-30 | — | — | US | disclosed |