Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10562202 | 0.85 | BRD4 (0.35) | GAAKDM4EPOLBGABRPGABRD | |
| SCHEMBL11085146 | 0.81 | TLR4 (0.42) | CYP2D6CYP1A2GAAKDM4EALDH1A1 | |
| SCHEMBL6225021 | 0.77 | MAPT (0.44) | GAAKDM4EALDH1A1KMT2AMAPT | |
| SCHEMBL1254599 | 0.75 | CYP2D6 (0.49) | CYP2D6CYP1A2GAAALDH1A1LMNA | |
| SCHEMBL6903785 | 0.75 | CES2 (0.32) | ALDH1A1 | |
| SCHEMBL534241 | 0.74 | CYP2D6 (0.55) | CYP2D6GAAKDM4EALDH1A1LMNA | |
| SCHEMBL11241585 | 0.74 | CYP2D6 (0.55) | CYP2D6GAAKDM4EALDH1A1LMNA | |
| SCHEMBL24340240 | 0.73 | NPC1 (0.35) | GAAKDM4EALDH1A1LMNAKMT2A | |
| SCHEMBL2993114 | 0.73 | ALDH1A1 (0.49) | CYP2D6CYP1A2GAAKDM4EALDH1A1 | |
| SCHEMBL24340405 | 0.73 | NPC1 (0.35) | GAAKDM4EALDH1A1LMNAKMT2A |
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-5221678-A | Cardiovascular disorders, antiinflammatory agents, antiallergens | MERCK FROSST CANADA, INC. (CA) | 1993-06-22 | — | — | US | disclosed |
| EP-0468785-A2 | (Quinolin-2-ylmethoxy)tetrahydrocarbazoles as inhibitors of the biosynthesis of leukotrienes | MERCK FROSST CANADA INC. (CA) | 1992-01-29 | — | — | EP | disclosed |
| US-4478837-A | HYPOTENSIVE AGENTS | SANDOZ LTD. (CH) | 1984-10-23 | — | — | US | disclosed |
| US-3954754-A | ANTIHYPERTENSIVES | SANDOZ LTD. (CH) | 1976-05-04 | — | — | US | disclosed |