Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 4/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7363757 | 0.75 | KCNJ1 (0.51) | KCNJ1KCNH2P4HBVCAM1FBP1 | |
| SCHEMBL7364292 | 0.71 | KCNH2 (0.53) | KCNJ1KCNH2P4HBABCG2ALDH1A1 | |
| SCHEMBL7363755 | 0.70 | KCNJ1 (0.54) | KCNJ1KCNH2P4HBABCG2VCAM1 | |
| SCHEMBL18920505 | 0.70 | GRM4 (0.54) | MEN1KMT2AALDH1A1GRM4 | |
| SCHEMBL6390843 | 0.70 | TNF (0.52) | MAPTMEN1KMT2AALDH1A1GRM4 | |
| SCHEMBL18116486 | 0.70 | GRM4 (0.54) | MEN1KMT2AALDH1A1GRM4 | |
| SCHEMBL27849068 | 0.70 | GRM4 (0.54) | MEN1KMT2AALDH1A1GRM4 | |
| SCHEMBL29913891 | 0.69 | VCAM1 (0.64) | KCNJ1KCNH2MAPTKMT2AALDH1A1 | |
| SCHEMBL57152 | 0.69 | VCAM1 (0.64) | KCNJ1KCNH2MAPTKMT2AALDH1A1 | |
| 4-Nitrotoluene SCHEMBL15633856 | 0.68 | ACHE (0.60) | KCNJ1KCNH2MEN1KMT2AABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5942544-A | α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-08-24 | — | — | US | disclosed |
| EP-0892780-A1 | M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997030971-A1 | M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-08-28 | — | — | WO | disclosed |