Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4713440 | 0.85 | TSHR (0.52) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| SCHEMBL5970052 | 0.82 | TSHR (0.55) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| SCHEMBL7837743 | 0.80 | TSHR (0.55) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| SCHEMBL31391099 | 0.80 | KDM4E (0.48) | TSHRL3MBTL1TDP1ALDH1A1HSD17B10 | |
| SCHEMBL11789735 | 0.77 | TSHR (0.57) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| SCHEMBL11326382 | 0.75 | TSHR (0.77) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| SCHEMBL6170666 | 0.73 | TSHR (0.53) | TSHRL3MBTL1ALDH1A1HSD17B10LMNA | |
| Dibutyl Phthalate SCHEMBL2330224 | 0.73 | TSHR (1.00) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL4596231 | 0.73 | TSHR (1.00) | TSHRL3MBTL1TDP1MAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL24051 | 0.73 | TSHR (1.00) | TSHRL3MBTL1TDP1MAPK1CYP3A4 |
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-1089993-A1 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-2000000487-A1 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2000-01-06 | — | — | WO | disclosed |