Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7077548 | 0.84 | PARP1 (0.60) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL5384227 | 0.84 | CYP3A4 (0.43) | PARP1CYP3A4SMN1; SMN2TSHRPOLB | |
| SCHEMBL259315 | 0.84 | CES2 (0.62) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL11820909 | 0.80 | HCAR1 (0.59) | CES2CES1HCAR1SMN1; SMN2TSHR | |
| Thiourea SCHEMBL28876257 | 0.77 | CES2 (0.54) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL31196365 | 0.76 | HCAR1 (0.65) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL21516794 | 0.76 | PARP1 (0.52) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL3090976 | 0.76 | PARP1 (0.52) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL27940624 | 0.76 | HCAR1 (0.59) | PARP1CES2CES1HCAR1CYP3A4 | |
| SCHEMBL6093189 | 0.76 | CYP3A4 (0.38) | PARP1CYP3A4SMN1; SMN2TSHRPOLB |
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-9896432-B2 | Somatostatin modulators and uses thereof | Crinetics Pharmaceuticals, Inc. (US) | 2018-02-20 | — | — | US | disclosed |