Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | P4HA1 | P13674 | 3/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRE | P78334 | 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 | |
|---|---|---|---|---|
| SCHEMBL4886683 | 0.75 | ALDH1A1 (0.58) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL20439243 | 0.72 | ALDH1A1 (0.42) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL3705899 | 0.70 | ALDH1A1 (0.54) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL185448 | 0.70 | ALDH1A1 (0.54) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL5778902 | 0.69 | KEAP1 (0.41) | ALDH1A1HSD17B10KDM4EALOX15GABRP | |
| SCHEMBL5660197 | 0.69 | P4HA1 (0.56) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL186175 | 0.69 | GABRP (0.58) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL4600260 | 0.69 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL16749632 | 0.69 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL63857 | 0.69 | NAPRT (0.58) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0873356-A1 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-28 | — | — | EP | disclosed |
| WO-1996025426-A9 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | — | 1997-06-12 | — | — | WO | disclosed |
| WO-1996025426-A1 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-22 | — | — | WO | disclosed |