Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.50 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | LSS | P48449 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HNF4A | P41235 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8763190 | 0.91 | ALDH1A1 (0.40) | CALM1CA1CA2LMNAALDH1A1 | |
| SCHEMBL57469 | 0.79 | — | — | |
| SCHEMBL14855299 | 0.79 | ALDH1A1 (0.64) | CALM1IDH1CYP2C9LTA4HCA12 | |
| SCHEMBL8764231 | 0.76 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL14342427 | 0.76 | MEN1 (0.59) | LTA4HLMNAALDH1A1 | |
| SCHEMBL7361947 | 0.76 | ALDH1A1 (0.62) | CYP2C9LMNAALDH1A1 | |
| SCHEMBL1269897 | 0.76 | ALDH1A1 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL284700 | 0.75 | CALM1 (0.63) | CALM1IDH1CYP2C9LTA4HSLC1A3 | |
| SCHEMBL10467228 | 0.74 | HPGD (0.42) | CYP2C9CA2ALDH1A1 | |
| SCHEMBL972712 | 0.74 | CALM1 (0.92) | CALM1IDH1CYP2C9LTA4HCA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6515002-B2 | 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-02-04 | — | — | US | disclosed |
| EP-1152759-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-11-14 | — | — | EP | disclosed |
| US-6291514-B1 | Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-09-18 | — | — | US | disclosed |
| WO-2000047194-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |