Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4713439 | 0.85 | TSHR (0.52) | TSHRTDP1L3MBTL1RIPK1ALDH1A1 | |
| SCHEMBL5970048 | 0.82 | DHODH (0.58) | TSHRTDP1L3MBTL1RIPK1ALDH1A1 | |
| SCHEMBL7837745 | 0.80 | TSHR (0.55) | TSHRTDP1L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL2830150 | 0.80 | PKN1 (0.61) | RIPK1KDM4EKMT2APARP1PKN1 | |
| SCHEMBL11789726 | 0.77 | TSHR (0.57) | TSHRTDP1L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL716141 | 0.77 | TSHR (0.57) | TSHRTDP1L3MBTL1RIPK1ALDH1A1 | |
| SCHEMBL27775909 | 0.77 | TSHR (0.57) | TSHRTDP1L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL20449581 | 0.73 | KDM4E (0.60) | KDM4EHPGDPARP1 | |
| SCHEMBL6170661 | 0.73 | PARP1 (0.64) | TSHRRIPK1ALDH1A1KDM4ELMNA | |
| Dibutyl Phthalate SCHEMBL4596231 | 0.73 | TSHR (1.00) | TSHRTDP1L3MBTL1ALDH1A1KDM4E |
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 |