Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1773527 | 0.89 | TSHR (0.65) | TSHRALDH1A1HSD17B10ACHEMAPK1 | |
| SCHEMBL8704816 | 0.83 | TSHR (0.57) | TSHRALDH1A1HSD17B10ACHEKDM4E | |
| SCHEMBL739464 | 0.81 | TSHR (0.71) | TSHRALDH1A1HSD17B10MAPK1TDP1 | |
| SCHEMBL6897776 | 0.80 | TSHR (0.47) | TSHRALDH1A1HSD17B10ACHEMAPK1 | |
| SCHEMBL439436 | 0.80 | TSHR (0.65) | TSHRALDH1A1HSD17B10ACHEMAPK1 | |
| SCHEMBL462794 | 0.80 | CYP3A4 (0.52) | TSHRALDH1A1TDP1NOS3NOS1 | |
| SCHEMBL1457077 | 0.77 | TSHR (0.61) | TSHRALDH1A1HSD17B10ACHEMAPK1 | |
| SCHEMBL9623463 | 0.76 | GABRA1 (0.47) | TSHRALDH1A1CNR2NOS3NOS1 | |
| Toluene SCHEMBL28374872 | 0.75 | CYP3A4 (0.48) | TSHRACHECNR2NOS3NOS1 | |
| SCHEMBL4127253 | 0.75 | TSHR (0.69) | TSHRALDH1A1HSD17B10MAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998057173-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-12-17 | — | — | WO | disclosed |
| WO-1998008839-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |