Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL238441 | 0.80 | CA1 (0.57) | TDP1ACHESMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL4706914 | 0.80 | GAA (0.53) | MAPTPLAUCTSAKDM4EL3MBTL1 | |
| SCHEMBL24631622 | 0.78 | CHRM2 (0.45) | TDP1ACHESMN1; SMN2CHRM2CHRM4 | |
| SCHEMBL4707217 | 0.77 | CYP2C19 (0.45) | TDP1SMN1; SMN2ALDH1A1MAPTCTSA | |
| SCHEMBL4708317 | 0.77 | HDAC4 (0.40) | MAPTCTSALMNAKDM4ETP53 | |
| SCHEMBL11398150 | 0.77 | ACHE (0.51) | TDP1ACHESMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL162184 | 0.77 | — | — | |
| SCHEMBL30454545 | 0.77 | — | — | |
| SCHEMBL4706109 | 0.76 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1MAPTLMNAMEN1 | |
| Ammonia Solution, Strong SCHEMBL28240370 | 0.75 | PLAU (0.46) | SMN1; SMN2PLAULMNACYP1A2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |
| CN-1646502-A | Triazole derivatives as tachykinin receptor antagonists | LILLY CO ELI (US) | 2005-07-27 | — | — | CN | disclosed |