Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | USP5 | P45974 | 1/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL11634523 | 0.84 | NR4A2 (0.46) | KMT2AALDH1A1CYP1A2KDM4EGLA | |
| SCHEMBL9717586 | 0.83 | MAPK1 (0.40) | KMT2AALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL7300776 | 0.81 | TSHR (0.52) | ALDH1A1HPGDHSD17B10HTTCYP3A4 | |
| SCHEMBL9717543 | 0.79 | HTT (0.53) | KMT2AALDH1A1MEN1HTT | |
| SCHEMBL10846560 | 0.77 | HSP90AB1 (0.53) | KMT2AALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL11582407 | 0.76 | CA1 (0.47) | KMT2AALDH1A1CYP1A2KDM4EGLA | |
| SCHEMBL2935246 | 0.76 | CA1 (0.61) | KMT2AALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL11710081 | 0.76 | STING1 (0.52) | KMT2AALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL11603708 | 0.76 | HTT (0.58) | KMT2AALDH1A1MEN1HTTFFAR1 | |
| SCHEMBL10356111 | 0.76 | HTT (0.58) | KMT2AALDH1A1MEN1HTTFFAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5135940-A | Antiallegens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1992-08-04 | — | — | US | disclosed |
| EP-0252639-A1 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1988-01-13 | — | — | EP | disclosed |
| EP-0104885-B1 | LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM | MERCK FROSST CANADA INC. (CA) | 1986-06-04 | — | — | EP | disclosed |
| EP-0156233-A2 | Use of leukotriene antagonists for producing cytoprotective pharmaceutical compositions and process for producing cytoprotective pharmaceutical compositions | MERCK & CO. INC. (US) | 1985-10-02 | — | — | EP | disclosed |
| EP-0104885-A1 | Leukotriene antagonists, their production, and compositions containing them | MERCK FROSST CANADA INC. (CA) | 1984-04-04 | — | — | EP | disclosed |