Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 6/20 | 0.47 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | KHK | P50053 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4374777 | 0.91 | NPC1 (0.42) | PARP1ADORA2ANPC1RAB9AADORA3 | |
| SCHEMBL6757234 | 0.88 | NPC1 (0.50) | ADORA2AADORA2BNPC1RAB9AADORA3 | |
| SCHEMBL6759261 | 0.86 | NPC1 (0.52) | ADORA2AADORA2BNPC1RAB9AADORA3 | |
| SCHEMBL6129582 | 0.82 | PARP1 (0.45) | PARP1MEN1KMT2AADORA2AADORA2B | |
| SCHEMBL16809165 | 0.79 | CDC7 (0.42) | HTR2CPARP1CYP1A2HSD17B10NPC1 | |
| SCHEMBL7966170 | 0.79 | HSD17B10 (0.43) | HTR2CPARP1KHKHSD17B10ADORA2A | |
| SCHEMBL7956610 | 0.78 | HTR2C (0.50) | HTR2CPARP1MEN1KMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL16778480 | 0.78 | CDC7 (0.43) | HTR2CPARP1CYP1A2HSD17B10NPC1 | |
| SCHEMBL7965946 | 0.78 | CDK1 (0.40) | HTR2CPARP1MEN1KMT2AADORA2A | |
| SCHEMBL5620715 | 0.77 | PARP1 (0.53) | PARP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6303627-B1 | FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS | ELI LILLY AND COMPANY | 2001-10-16 | — | — | US | disclosed |
| WO-1999065487-A1 | INHIBITORS OF SEROTONIN REUPTAKE | ELI LILLY AND COMPANY (US) | 1999-12-23 | — | — | WO | disclosed |
| EP-0965587-A1 | Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1999-12-22 | — | — | EP | disclosed |