Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | USP2 | O75604 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14232651 | 0.84 | MGLL (0.35) | HSD17B10TSHRUSP2CYP2D6ALDH1A1 | |
| SCHEMBL2990811 | 0.79 | MEN1 (0.51) | HSD17B10TSHRCYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL8811652 | 0.71 | HSD17B10 (0.58) | HSD17B10TSHRUSP2CYP2D6ALDH1A1 | |
| SCHEMBL7883556 | 0.71 | HSD17B10 (0.46) | HSD17B10TSHRUSP2CYP2D6ALDH1A1 | |
| SCHEMBL14209241 | 0.70 | MMP13 (0.54) | HSD17B10TSHRUSP2CYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7883554 | 0.70 | HSD17B10 (0.45) | HSD17B10TSHRUSP2CYP2D6ALDH1A1 | |
| SCHEMBL14834366 | 0.70 | OPRM1 (0.38) | ALDH1A1OPRM1HTR2CHTR2B | |
| SCHEMBL20764919 | 0.69 | GSK3A (0.31) | HSD17B10OPRM1MGLL | |
| Hydrochloric Acid SCHEMBL2990834 | 0.69 | MMP13 (0.53) | HSD17B10TSHRUSP2CYP2D6ALDH1A1 | |
| SCHEMBL17149455 | 0.68 | TSHR (0.46) | HSD17B10TSHRUSP2CYP2D6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7786308-B2 | Muscarinic modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-31 | — | — | US | disclosed |
| US-7786308-B2 | Muscarinic modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-31 | — | — | US | disclosed |