Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | WRN | Q14191 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | PRF1 | P14222 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20772782 | 0.89 | HSD17B2 (0.40) | HSD17B2WRNALDH1A1IKBKBHPGD | |
| SCHEMBL20772794 | 0.88 | CNR1 (0.34) | CNR1 | |
| SCHEMBL20772370 | 0.86 | HSD17B2 (0.43) | HSD17B2WRNALDH1A1IKBKBPRKDC | |
| SCHEMBL20772277 | 0.86 | PRKDC (0.47) | HSD17B2WRNALDH1A1IKBKBPRKDC | |
| SCHEMBL20772587 | 0.84 | WRN (0.38) | HSD17B2WRNIKBKBCNR1PRKDC | |
| SCHEMBL20772489 | 0.74 | PRKDC (0.38) | ALDH1A1CNR1PRKDCNPC1MAPT | |
| SCHEMBL20775033 | 0.74 | ALDH1A1 (0.40) | HSD17B2ALDH1A1CNR1PRF1TSHR | |
| SCHEMBL20772262 | 0.73 | HSD17B2 (0.43) | HSD17B2WRNALDH1A1HPGDPRF1 | |
| SCHEMBL20772416 | 0.73 | HSD17B2 (0.43) | HSD17B2WRNIKBKBCNR1PRKDC | |
| SCHEMBL20772522 | 0.68 | DRD2 (0.36) | HSD17B2DRD2DRD3 |
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-3676260-A1 | NOVEL THIOPHENE COMPOUNDS, PROCESS FOR SYNTHESIS AND USE THEREOF | Ahammune Biosciences Private Limited (IN) | 2020-07-08 | — | — | EP | disclosed |
| WO-2019043642-A1 | NOVEL THIOPHENE COMPOUNDS, PROCESS FOR SYNTHESIS AND USE THEREOF | AHAMMUNE BIOSCIENCES PRIVATE LIMITED (IN) | 2019-03-07 | — | — | WO | disclosed |