Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27738271 | 0.87 | CRHBP (0.50) | CA1CA2ALDH1A1LMNAKMT2A | |
| SCHEMBL7822479 | 0.85 | ALDH1A1 (0.50) | CA1CA2ALDH1A1LMNAHKDC1 | |
| SCHEMBL10528832 | 0.85 | HKDC1 (0.71) | CA1CA2ALDH1A1LMNAHKDC1 | |
| SCHEMBL27759110 | 0.84 | CRHBP (0.51) | CA1CA2ALDH1A1LMNAKMT2A | |
| SCHEMBL4850974 | 0.83 | CA1 (0.54) | CA1CA2ALDH1A1LMNAKMT2A | |
| 3,5-Dinitrosalicylic Acid SCHEMBL28323234 | 0.83 | ALDH1A1 (0.61) | CA1CA2ALDH1A1LMNAKMT2A | |
| 3,5-Dinitrosalicylic Acid SCHEMBL125292 | 0.83 | ALDH1A1 (0.61) | CA1CA2ALDH1A1LMNAKMT2A | |
| SCHEMBL11072023 | 0.83 | CA1 (0.69) | CA1CA2ALDH1A1LMNAKMT2A | |
| 3,5-Dinitrosalicylic Acid SCHEMBL29350581 | 0.83 | ALDH1A1 (0.61) | CA1CA2ALDH1A1LMNAKMT2A | |
| SCHEMBL394667 | 0.81 | TSHR (0.57) | CA1CA2ALDH1A1LMNAHKDC1 |
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-2291077-A1 | PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS | Inspire Pharmaceuticals, Inc. (US) | 2011-03-09 | — | — | EP | disclosed |
| WO-2009154940-A1 | PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS | INSPIRE PHARMACEUTICALS, INC. (US) | 2009-12-23 | — | — | WO | disclosed |