Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 3/20 | 0.46 |
| ▸ | PARP1 | P09874 | 3/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.42 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | MTHFD2 | P13995 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1033816 | 0.77 | TNKS (0.46) | TNKSPARP1TNKS2KMT2AALDH1A1 | |
| SCHEMBL1033822 | 0.73 | TNKS2 (0.55) | TNKSPARP1TNKS2KMT2AALDH1A1 | |
| SCHEMBL6248856 | 0.73 | — | — | |
| SCHEMBL6261910 | 0.73 | KDM4E (0.31) | ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL9070566 | 0.71 | TNKS (0.63) | TNKSPARP1TNKS2KMT2AALDH1A1 | |
| SCHEMBL1032502 | 0.71 | TNKS2 (0.68) | TNKSPARP1TNKS2KMT2AALDH1A1 | |
| SCHEMBL6688805 | 0.69 | GAA (0.40) | TNKSPARP1TNKS2KMT2AALDH1A1 | |
| SCHEMBL18698090 | 0.68 | HTR2A (0.41) | KMT2AALDH1A1MEN1MAPTSMN1; SMN2 | |
| SCHEMBL14344503 | 0.68 | MTHFD2 (0.49) | TNKSPARP1TNKS2KMT2AALDH1A1 | |
| SCHEMBL14107495 | 0.68 | HTR2C (0.49) | TNKSPARP1TNKS2KMT2AALDH1A1 |
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-3083623-A1 | POLYMORPHIC FORMS OF A HYDROCHLORIDE SALT OF (S) -2-(9H-PURIN-6-YLAMINO) PROPYL) -5-FLUORO-3-PHENYLQUINAZOLIN-4 (3H) -ONE | Gilead Calistoga LLC (US) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015095605-A1 | POLYMORPHIC FORMS OF A HYDROCHLORIDE SALT OF (S) -2-(9H-PURIN-6-YLAMINO) PROPYL) -5-FLUORO-3-PHENYLQUINAZOLIN-4 (3H) -ONE | GILEAD CALISTOGA LLC (US) | 2015-06-25 | — | — | WO | disclosed |