Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10175614 | 0.84 | SMN1; SMN2 (0.46) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL17896755 | 0.84 | SMN1; SMN2 (0.44) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL17896649 | 0.83 | PTGS2 (0.58) | PTGS2ALOX5APCA12CA1CA2 | |
| SCHEMBL17896760 | 0.81 | CYP11B1 (0.52) | PTGS2ALOX5APCA12CA1CA2 | |
| SCHEMBL460529 | 0.81 | NAMPT (0.53) | PTGS2ALOX5APSMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL17896621 | 0.78 | SMN1; SMN2 (0.49) | PTGS2ALOX5APCA12CA1CA2 | |
| SCHEMBL17896664 | 0.78 | ALOX5AP (0.54) | PTGS2ALOX5APCA12CA1CA2 | |
| SCHEMBL10175433 | 0.78 | CYP11B1 (0.53) | PTGS2ALOX5APCA12CA1CA2 | |
| SCHEMBL17896642 | 0.75 | ALOX5AP (0.46) | PTGS2ALOX5APCA12CA1CA2 | |
| SCHEMBL17896627 | 0.75 | PTGS2 (0.51) | PTGS2ALOX5APCYP11B1CYP11B2KIT |
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 |
|---|---|---|---|---|---|---|---|
| US-9382226-B2 | Aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| US-9382226-B2 | Aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |