Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | G6PD | P11413 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | EP300 | Q09472 | 1/20 | 0.43 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.43 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28792402 | 0.73 | CA12 (0.42) | ALDH1A1PKMEP300KAT2BCA12 | |
| SCHEMBL3058623 | 0.72 | CA12 (0.40) | CA12CA1CA2CA9 | |
| SCHEMBL5579491 | 0.71 | LMNA (0.53) | ALDH1A1TDP1KDM4EGAAMAPT | |
| SCHEMBL28163735 | 0.70 | NR3C2 (0.41) | ALDH1A1TDP1KDM4EGAAMAPT | |
| SCHEMBL28818413 | 0.69 | NR3C2 (0.46) | ALDH1A1TDP1KDM4EGAAMAPT | |
| SCHEMBL3043828 | 0.67 | CA12 (0.61) | ALDH1A1KDM4EGAAMAPTCA12 | |
| SCHEMBL27172260 | 0.67 | EP300 (0.49) | ALDH1A1KDM4EGAAMAPTEP300 | |
| SCHEMBL7066401 | 0.67 | CA12 (0.41) | EP300KAT2BCA12CA1CA2 | |
| SCHEMBL1782525 | 0.66 | ALDH1A1 (0.45) | ALDH1A1TDP1KDM4EGAAMAPT | |
| SCHEMBL15105004 | 0.66 | CA12 (0.59) | ALDH1A1KDM4EEP300KAT2BCA12 |
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-2001885-A2 | OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES | Abbott Laboratories (US) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007100990-A2 | OCTAHYDRO-PYRROLO[3,4-B] PYRROLE DERIVATIVES AND THEIR USE AS HISTAMINE-3 RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2007-09-07 | — | — | WO | disclosed |