Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | TMPRSS6 | Q8IU80 | 1/20 | 0.43 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.43 |
| ▸ | PEPD | P12955 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 3/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22939669 | 0.85 | SIGMAR1 (0.47) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL10735458 | 0.83 | PEPD (0.64) | CA12CA1CA2CA9F2 | |
| Hydrochloric Acid SCHEMBL9668364 | 0.83 | SIGMAR1 (0.46) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL4101986 | 0.81 | ALDH1A1 (0.66) | CA12CA1CA2CA9F2 | |
| SCHEMBL4100266 | 0.81 | MEN1 (0.50) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL4113103 | 0.81 | NPC1 (0.66) | CA12CA1CA2CA9F2 | |
| SCHEMBL2955430 | 0.81 | GAA (0.55) | F2PRSS1NPC1ALDH1A1EPHX1 | |
| SCHEMBL5533070 | 0.80 | PEPD (0.64) | CA12CA1CA2CA9SIGMAR1 | |
| Hydrochloric Acid SCHEMBL28052672 | 0.78 | PEPD (0.61) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL4105580 | 0.77 | NPC1 (0.58) | F2NPC1ALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4326074-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1982-04-20 | — | — | US | disclosed |
| US-4115564-A | Treatment of diarrhea with amidinoureas | WILLIAM H. RORER, INC. (US) | 1978-09-19 | — | — | US | disclosed |
| US-4088785-A | HYPOTENSIVE AGENTS | WILLIAM H. RORER, INC. (US) | 1978-05-09 | — | — | US | disclosed |