Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11861050 | 0.88 | PKM (0.48) | PKMPOLBCYP1A2GRIN2BDYRK1A | |
| SCHEMBL4586177 | 0.77 | NPM1 (0.37) | PIK3CBPRKDCADORA3ADORA1ADORA2A | |
| SCHEMBL11875487 | 0.77 | ADORA3 (0.56) | POLBADORA3ADORA1ADORA2A | |
| SCHEMBL11868935 | 0.77 | ADORA3 (0.56) | POLBPIK3CBPRKDCCYP1A2ADORA3 | |
| SCHEMBL11867415 | 0.74 | NOTUM (0.37) | ADORA3ADORA1NOTUM | |
| SCHEMBL13762561 | 0.73 | KIF11 (0.41) | PKMPOLBPDE2ACYP1A2PDE10A | |
| SCHEMBL14054039 | 0.72 | PDE2A (0.45) | PIK3CBPRKDCPDE2ACYP1A2CYP11B2 | |
| SCHEMBL11861240 | 0.71 | PDE2A (0.56) | POLBPDE2APDE10A | |
| SCHEMBL11871280 | 0.71 | ADORA3 (0.36) | PDE2ACYP1A2ADORA3ADORA1ADORA2A | |
| SCHEMBL11867676 | 0.71 | ALDH1A1 (0.43) | POLB |
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-3987196-A | FUNGISTATS | ELI LILLY AND COMPANY (US) | 1976-10-19 | — | — | US | disclosed |