Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9157598 | 0.93 | HSD17B10 (0.44) | HSD17B10TSHRESR1ADRA2AADORA3 | |
| SCHEMBL9158620 | 0.92 | HSD17B10 (0.42) | HSD17B10TSHRESR1ADRA2AADORA3 | |
| SCHEMBL9153691 | 0.90 | FFAR1 (0.39) | HSD17B10TSHRALDH1A1TP53PTPN11 | |
| SCHEMBL9874595 | 0.90 | HSD17B10 (0.39) | HSD17B10TSHRKDM4EALDH1A1FFAR1 | |
| SCHEMBL9766638 | 0.89 | HSD17B10 (0.48) | HSD17B10TSHRKDM4EALDH1A1TP53 | |
| SCHEMBL9156038 | 0.88 | HSD17B10 (0.49) | HSD17B10TSHRESR1ADRA2AADORA3 | |
| SCHEMBL9766643 | 0.88 | FFAR1 (0.36) | HSD17B10TSHRCHRM2FFAR1FFAR4 | |
| SCHEMBL9158273 | 0.88 | FFAR1 (0.40) | CHRM2FFAR1FFAR4 | |
| SCHEMBL9155712 | 0.87 | TSHR (0.43) | HSD17B10TSHRALDH1A1TP53FFAR1 | |
| SCHEMBL9154284 | 0.85 | CYP2A6 (0.39) | LMNAFFAR1FFAR4 |
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-0445248-A1 | PYRIDINE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1991-09-11 | — | — | EP | disclosed |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |