Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.56 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.56 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | TET3 | O43151 | 1/20 | 0.49 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.49 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.49 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9393994 | 0.93 | SMN1; SMN2 (0.52) | SMN1; SMN2OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL16874836 | 0.88 | OPRM1 (0.59) | SMN1; SMN2OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL1581919 | 0.84 | OPRM1 (0.56) | SMN1; SMN2OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL16874714 | 0.82 | HSD11B1 (0.56) | SMN1; SMN2OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL9529108 | 0.82 | APP (0.59) | SMN1; SMN2OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL6802425 | 0.81 | ALDH1A1 (0.55) | SMN1; SMN2OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL578234 | 0.81 | CA12 (0.56) | OPRM1OPRD1OPRK1OPRL1CYP2D6 | |
| SCHEMBL13923623 | 0.81 | MEN1 (0.61) | SMN1; SMN2OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL1103890 | 0.80 | OPRM1 (0.61) | SMN1; SMN2OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL10515682 | 0.80 | USP2 (0.57) | OPRM1OPRD1OPRK1OPRL1CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0687267-B1 | PYRROLO-PYRIDINE DERIVATIVES AS LIGANDS OF DOPAMINE RECEPTOR | MERCK SHARP & DOHME (GB) | 1999-09-01 | — | — | EP | disclosed |
| US-5700809-A | Pyrrolo-pyridine derivatives | MERCK SHARP & DOHME, LTD. (GB) | 1997-12-23 | — | — | US | disclosed |
| WO-1994020459-A2 | PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-09-15 | — | — | WO | disclosed |