Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5833565 | 0.77 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2730032 | 0.75 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1525473 | 0.72 | HPGD (0.53) | TSHR | |
| SCHEMBL11725601 | 0.70 | SIGMAR1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1171719 | 0.69 | HPGDS (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3592761 | 0.69 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11087854 | 0.67 | TSHR (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL302811 | 0.67 | — | — | |
| SCHEMBL1927948 | 0.67 | HPGD (0.56) | NPC1RAB9ATSHR | |
| SCHEMBL13753540 | 0.67 | HPGD (0.54) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001027096-A9 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | PROTHERICS MOLECULAR DESIGN LT (GB) | 2001-07-12 | — | — | WO | claimed |
| WO-2001027096-A1 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | TULARIK LIMITED (GB) | 2001-04-19 | — | — | WO | claimed |
| WO-2001027096-A9 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | PROTHERICS MOLECULAR DESIGN LT (GB) | 2001-07-12 | — | — | WO | disclosed |