Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.55 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.36 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.36 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.36 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRD2 | P25440 | 1/20 | 0.36 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.36 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | CTSC | P53634 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2259375 | 0.88 | NOTUM (0.61) | NOTUMPDE5AHSD17B3 | |
| SCHEMBL1944443 | 0.79 | NOTUM (0.61) | NOTUMPDE5AHSD17B3CTSC | |
| SCHEMBL14866100 | 0.79 | CYP11B2 (0.41) | NOTUMCYP11B2CYP11B1HSD17B3BRD4 | |
| SCHEMBL6690377 | 0.77 | PDE5A (0.67) | NOTUMPDE5AHSD17B3 | |
| SCHEMBL4303668 | 0.76 | NOTUM (0.61) | NOTUMPDE5A | |
| SCHEMBL29643084 | 0.76 | NOTUM (0.61) | NOTUMPDE5AHSD17B3BRD4 | |
| SCHEMBL5623740 | 0.76 | NOTUM (0.61) | NOTUMPDE5AHSD17B3BRD4 | |
| SCHEMBL17022647 | 0.76 | NOTUM (0.61) | NOTUMPDE5AHDAC1HSD17B3BRD4 | |
| SCHEMBL9045039 | 0.76 | NOTUM (0.61) | NOTUMPDE5AHDAC1HSD17B3SCN9A | |
| SCHEMBL248856 | 0.75 | NOTUM (0.56) | NOTUMPDE5AHSD17B3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011056985-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2011-05-12 | — | — | WO | disclosed |
| WO-2011056985-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2011-05-12 | — | — | WO | disclosed |