Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 9/20 | 0.40 |
| ▸ | HTR2C | P28335 | 7/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6556360 | 1.00 | HTR2A (0.40) | HTR2AHTR2CHTR6KCNH2DRD2 | |
| SCHEMBL7109787 | 0.80 | HTR2C (0.45) | HTR2AHTR2CDRD2PARP1 | |
| SCHEMBL6556304 | 0.74 | KMT2A (0.42) | HTR6ACHECHRM3 | |
| SCHEMBL6556631 | 0.74 | KMT2A (0.42) | HTR6ACHECHRM3 | |
| SCHEMBL6556627 | 0.74 | KMT2A (0.42) | HTR6ACHECHRM3 | |
| SCHEMBL6556308 | 0.74 | KMT2A (0.42) | HTR6ACHECHRM3 | |
| SCHEMBL1805749 | 0.71 | HTR2C (0.42) | HTR2AHTR2CCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL2599007 | 0.71 | HTR2C (0.42) | HTR2AHTR2CCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1805752 | 0.71 | HTR2C (0.42) | HTR2AHTR2CCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL2599004 | 0.71 | HTR2C (0.42) | HTR2AHTR2CCHRNB2CHRNB4CHRNA3 |
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 |