Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11624004 | 0.83 | NPC1 (0.32) | ALDH1A1 | |
| SCHEMBL5740990 | 0.83 | TRIM24 (0.33) | ALDH1A1TSHRLMNACYP2C19 | |
| SCHEMBL9873984 | 0.78 | ALDH1A1 (0.38) | ALDH1A1CYP1A2TSHRUSP2LMNA | |
| SCHEMBL16877114 | 0.77 | CYP1A2 (0.54) | ALDH1A1CYP1A2TSHRUSP2LMNA | |
| SCHEMBL2920990 | 0.77 | CYP1A2 (0.59) | ALDH1A1CYP1A2TSHRUSP2LMNA | |
| SCHEMBL3195737 | 0.75 | ALDH1A1 (0.63) | ALDH1A1CYP1A2TSHRUSP2LMNA | |
| SCHEMBL2612028 | 0.72 | — | — | |
| SCHEMBL4075330 | 0.72 | SIRT2 (0.35) | ALDH1A1TSHR | |
| SCHEMBL18191201 | 0.71 | CYP2C19 (0.38) | TSHRKMT2ACYP2C19 | |
| SCHEMBL7042305 | 0.71 | TRIM24 (0.33) | ALDH1A1 |
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 2 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 |