Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetophenone SCHEMBL27892435 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Benzoic Acid SCHEMBL27330443 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Benzophenone SCHEMBL8217631 | 0.85 | ELANE (0.58) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Benzoic Acid SCHEMBL8413078 | 0.85 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Ethyl Benzoate SCHEMBL27407882 | 0.83 | LMNA (0.61) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Benzophenone SCHEMBL27605642 | 0.81 | ELANE (0.55) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Propiophenone SCHEMBL28167982 | 0.81 | NPC1 (0.57) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Benzoyl Peroxide SCHEMBL28312109 | 0.81 | LMNA (0.63) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Ethyl Acetate SCHEMBL28869764 | 0.81 | ALDH1A1 (0.57) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Benzamide SCHEMBL27654010 | 0.81 | MAPT (0.59) | ALDH1A1LMNAHSD17B10MEN1KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1189476-C | Thrombin inhibitors, their preparation and use | BASF AG (DE) | 2005-02-16 | — | — | CN | disclosed |
| CN-1355810-A | Prodrugs of thrombin inhibitors | BASF AG (DE) | 2002-06-26 | — | — | CN | disclosed |
| CN-1349526-A | Prodrugs of thrombin inhibitors | BASF AG (DE) | 2002-05-15 | — | — | CN | disclosed |
| CN-1289341-A | Thrombin inhibitors | BASF AG (DE) | 2001-03-28 | — | — | CN | disclosed |
| CN-1233256-A | Dipeptide benzamidine as a kininogenase inhibitor | BASF AG (DE) | 1999-10-27 | — | — | CN | disclosed |
| CN-1228783-A | Novel thrombin inhibitors | BASF AG (DE) | 1999-09-15 | — | — | CN | disclosed |
| CN-1154114-A | New thrombin inhibitors, their preparation and use | BASF AG (DE) | 1997-07-09 | — | — | CN | disclosed |