Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL2686950 | 1.00 | ALDH1A1 (0.33) | ALDH1A1CYP1A2HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL3425271 | 0.91 | ALDH1A1 (0.37) | ALDH1A1CYP1A2KMT2A | |
| SCHEMBL3403094 | 0.91 | ALDH1A1 (0.37) | ALDH1A1CYP1A2KMT2A | |
| SCHEMBL3397336 | 0.91 | ALDH1A1 (0.37) | ALDH1A1CYP1A2KMT2A | |
| SCHEMBL3398141 | 0.83 | KMT2A (0.32) | ALDH1A1CYP1A2KMT2A | |
| SCHEMBL3403314 | 0.81 | MEN1 (0.36) | SMN1; SMN2KMT2ATSHR | |
| SCHEMBL2688001 | 0.80 | — | — | |
| SCHEMBL2687182 | 0.77 | KDM4E (0.35) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL15808637 | 0.77 | KDM4E (0.35) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL2346750 | 0.75 | POLB (0.35) | — |
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 |