Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.53 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11686136 | 0.83 | SIGMAR1 (0.68) | SIGMAR1TMEM97ALDH1A1OPRL1POLB | |
| SCHEMBL16084085 | 0.82 | OPRL1 (0.54) | SIGMAR1OPRL1POLBCCR3CYP3A4 | |
| SCHEMBL22384333 | 0.82 | OPRL1 (0.57) | SIGMAR1OPRL1POLBCCR3CYP3A4 | |
| Hydrochloric Acid SCHEMBL11689691 | 0.81 | SIGMAR1 (0.66) | SIGMAR1TMEM97ALDH1A1OPRL1POLB | |
| SCHEMBL15112286 | 0.78 | HTR1D (0.54) | SIGMAR1TMEM97ALDH1A1 | |
| SCHEMBL16084074 | 0.78 | OPRL1 (0.52) | SIGMAR1ALDH1A1OPRL1POLBCCR3 | |
| SCHEMBL24358373 | 0.77 | SIGMAR1 (0.61) | SIGMAR1TMEM97ALDH1A1OPRL1POLB | |
| SCHEMBL10120597 | 0.77 | SIGMAR1 (0.56) | SIGMAR1TMEM97ALDH1A1OPRL1POLB | |
| SCHEMBL18658159 | 0.76 | DRD4 (0.67) | SIGMAR1ALDH1A1POLB | |
| SCHEMBL17834374 | 0.75 | OPRL1 (0.49) | SIGMAR1OPRL1POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014139325-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | AGIOS PHARMACEUTICALS, INC. (US) | 2014-09-18 | — | — | WO | disclosed |