Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL5245421 | 0.86 | KDM4E (0.56) | ALDH1A1KDM4ECYP3A4POLBALOX15 | |
| SCHEMBL9094972 | 0.84 | LCK (0.46) | ALDH1A1LCKFYNKDM4ECYP3A4 | |
| SCHEMBL30209179 | 0.83 | CYP3A4 (0.51) | ALDH1A1LCKFYNKDM4ECYP3A4 | |
| SCHEMBL1368787 | 0.83 | CYP3A4 (0.51) | ALDH1A1LCKFYNKDM4ECYP3A4 | |
| SCHEMBL5368137 | 0.81 | LCK (0.51) | ALDH1A1LCKFYNKDM4ECYP3A4 | |
| SCHEMBL9329569 | 0.77 | PKM (0.46) | ALDH1A1LCKFYNKDM4ECYP3A4 | |
| SCHEMBL9603034 | 0.77 | CYP3A4 (0.43) | ALDH1A1LCKFYNKDM4ECYP3A4 | |
| SCHEMBL18489995 | 0.76 | PKM (0.48) | ALDH1A1LCKFYNKDM4ECYP3A4 | |
| SCHEMBL24104857 | 0.76 | SMN1; SMN2 (0.40) | ALDH1A1LCKFYNKDM4ECYP3A4 | |
| SCHEMBL26060369 | 0.75 | CYP3A4 (0.50) | ALDH1A1KDM4ECYP3A4POLBALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7268142-B2 | Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline | PFIZER INC. (US) | 2007-09-11 | — | — | US | disclosed |
| US-7268142-B2 | Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline | PFIZER INC. (US) | 2007-09-11 | — | — | US | disclosed |
| WO-2005082883-A2 | TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE | PFIZER PRODUCTS INC. (US) | 2005-09-09 | — | — | WO | disclosed |