Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2929201 | 0.82 | MMP9 (0.46) | ALDH1A1GAATSHRUSP2TP53 | |
| SCHEMBL2928560 | 0.80 | MMP9 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL2927569 | 0.79 | MMP9 (0.50) | ALDH1A1USP2PKM | |
| SCHEMBL2928574 | 0.79 | MMP9 (0.49) | ALDH1A1GAAPOLBTSHRPKM | |
| SCHEMBL1656026 | 0.78 | MMP2 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2922730 | 0.77 | MMP2 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1656131 | 0.75 | MMP9 (0.61) | — | |
| SCHEMBL1655592 | 0.75 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1658459 | 0.72 | MMP9 (0.56) | ALDH1A1PKMHTT | |
| SCHEMBL2928171 | 0.70 | CHRM5 (0.41) | ALDH1A1PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1768979-B1 | OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | MERCK SERONO SA (CH) | 2010-09-29 | — | — | EP | claimed |