Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3425807 | 0.83 | ALDH1A1 (0.33) | KMT2AALDH1A1CYP1A2 | |
| SCHEMBL2686950 | 0.83 | ALDH1A1 (0.33) | KMT2AALDH1A1CYP1A2 | |
| SCHEMBL3425271 | 0.81 | ALDH1A1 (0.37) | KMT2AALDH1A1CYP1A2POLB | |
| SCHEMBL3397336 | 0.81 | ALDH1A1 (0.37) | KMT2AALDH1A1CYP1A2POLB | |
| SCHEMBL3403094 | 0.81 | ALDH1A1 (0.37) | KMT2AALDH1A1CYP1A2POLB | |
| SCHEMBL3403407 | 0.80 | TSHR (0.38) | KMT2A | |
| SCHEMBL3401469 | 0.78 | ACE (0.32) | — | |
| SCHEMBL11972563 | 0.69 | OPRM1 (0.35) | ALDH1A1 | |
| SCHEMBL3399177 | 0.68 | PIN1 (0.37) | — | |
| SCHEMBL2687094 | 0.68 | DPP4 (0.33) | ALDH1A1CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445501-B2 | Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines | TAKEDA GMBH (DE) | 2013-05-21 | — | — | US | claimed |
| EP-2247594-A1 | PYRROLOPYRIMIDINECARBOXAMIDES | Nycomed GmbH (DE) | 2010-11-10 | — | — | EP | claimed |
| WO-2009106531-A1 | PYRROLOPYRIMIDINECARBOXAMIDES | NYCOMED GMBH (DE) | 2009-09-03 | — | — | WO | claimed |
| US-8445501-B2 | Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines | TAKEDA GMBH (DE) | 2013-05-21 | — | — | US | disclosed |
| EP-2247594-A1 | PYRROLOPYRIMIDINECARBOXAMIDES | Nycomed GmbH (DE) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009106531-A1 | PYRROLOPYRIMIDINECARBOXAMIDES | NYCOMED GMBH (DE) | 2009-09-03 | — | — | WO | disclosed |