Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 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 |
| ▸ | NNMT | P40261 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14450782 | 0.80 | CA5A (0.44) | SMN1; SMN2NOS1LMNAMAPTTDP1 | |
| SCHEMBL22893678 | 0.78 | PARP1 (0.46) | PARP1TSHRSMN1; SMN2NOS1HSD17B10 | |
| SCHEMBL10831613 | 0.77 | PARP1 (0.46) | PARP1TSHRHTTAPOBEC3AAPOBEC3G | |
| SCHEMBL18471225 | 0.77 | SMN1; SMN2 (0.49) | PARP1TSHRHTTAPOBEC3AAPOBEC3G | |
| SCHEMBL1004660 | 0.75 | PARP1 (0.50) | PARP1TSHRHTTAPOBEC3AAPOBEC3G | |
| SCHEMBL3220166 | 0.75 | CA1 (0.48) | PARP1TSHRSMN1; SMN2CYP3A4NOS1 | |
| SCHEMBL1397262 | 0.75 | POLB (0.50) | PARP1TSHRHTTAPOBEC3AAPOBEC3G | |
| SCHEMBL1003411 | 0.73 | PARP1 (0.43) | PARP1TSHRHTTAPOBEC3AAPOBEC3G | |
| SCHEMBL1505378 | 0.73 | TSHR (0.44) | PARP1TSHRHTTAPOBEC3AAPOBEC3G | |
| SCHEMBL1002938 | 0.73 | CYP3A4 (0.48) | PARP1TSHRHTTAPOBEC3AAPOBEC3G |
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-2366704-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-2364984-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-14 | — | — | EP | disclosed |