Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | STAT3 | P40763 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2769616 | 0.99 | ALDH1A1 (0.42) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL2771493 | 0.90 | MAPT (0.43) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL2769402 | 0.89 | MAPT (0.42) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL2773365 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL2770144 | 0.88 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL2769479 | 0.87 | ALDH1A1 (0.45) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL2769085 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL2769471 | 0.85 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL2771198 | 0.84 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL2771231 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 |
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-1805177-B9 | PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | YUHAN CORP (KR) | 2010-09-15 | — | — | EP | claimed |
| EP-1805177-B1 | PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | YUHAN CORP (KR) | 2010-04-28 | — | — | EP | claimed |