Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | CPT2 | P23786 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25269996 | 0.84 | TSHR (0.46) | TSHRCYP2D6CYP2C19HIF1ATET2 | |
| SCHEMBL9737294 | 0.77 | TDP1 (0.45) | TSHRCYP2D6CYP2C19HIF1ATET2 | |
| SCHEMBL9555113 | 0.76 | — | — | |
| SCHEMBL27815841 | 0.75 | TSHR (0.39) | TSHRCYP2D6CYP2C19HIF1ATET2 | |
| SCHEMBL4057954 | 0.75 | TSHR (0.39) | TSHRCYP2D6CYP2C19HIF1ATET2 | |
| SCHEMBL1005147 | 0.74 | TSHR (0.42) | TSHRCYP2D6CYP2C19HIF1ATET2 | |
| SCHEMBL8363582 | 0.73 | EGLN1 (0.44) | TSHRCYP2D6CYP2C19HIF1ATET2 | |
| SCHEMBL7696407 | 0.73 | HDAC3 (0.42) | TSHRCYP2D6CYP2C19HIF1ATET2 | |
| Hydrochloric Acid SCHEMBL4137653 | 0.73 | TSHR (0.60) | TSHRCYP2D6CYP2C19HIF1ATET2 | |
| SCHEMBL159468 | 0.73 | — | — |
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-5225421-A | Leukotriene antagonists; cytoprotective agents | MERCK FROSST CANADA, INC. (CA) | 1993-07-06 | — | — | US | disclosed |
| EP-0275667-B1 | 3-HETERO-SUBSTITUTED-N-BENZYL-INDOLES | MERCK FROSST CANADA INC. (CA) | 1992-03-18 | — | — | EP | disclosed |
| US-5081138-A | Antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents | MERCK FROSST CANADA, INC. (CA) | 1992-01-14 | — | — | US | disclosed |
| EP-0275667-A1 | 3-hetero-substituted-N-benzyl-indoles | MERCK FROSST CANADA INC. (CA) | 1988-07-27 | — | — | EP | disclosed |