Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 13/20 | 0.71 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.63 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.63 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | CASP1 | P29466 | 1/20 | 0.59 |
| ▸ | SYK | P43405 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8901465 | 0.99 | ABCG2 (0.70) | ABCG2NPY5RCYP1A2KDM4EMEN1 | |
| SCHEMBL8898863 | 0.88 | NPY5R (0.74) | ABCG2NPY5RCYP1A2KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL8890523 | 0.86 | NPY5R (0.72) | ABCG2NPY5RCYP1A2KDM4EMEN1 | |
| SCHEMBL1063549 | 0.83 | ABCG2 (1.00) | ABCG2CYP1A2KDM4EMEN1ALDH1A1 | |
| SCHEMBL8890705 | 0.83 | NPY5R (0.67) | ABCG2NPY5RKDM4EMEN1KMT2A | |
| SCHEMBL2591063 | 0.83 | NPY5R (1.00) | ABCG2NPY5RMEN1TP53TSHR | |
| Hydrochloric Acid SCHEMBL8889951 | 0.82 | NPY5R (0.66) | ABCG2NPY5RKDM4EMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6039677 | 0.81 | NPY5R (0.96) | ABCG2NPY5RKDM4EMEN1TP53 | |
| SCHEMBL2590759 | 0.80 | NPY5R (0.76) | ABCG2NPY5RCYP1A2KDM4EMEN1 | |
| SCHEMBL22201571 | 0.79 | ABCG2 (1.00) | ABCG2CYP1A2KDM4EMEN1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997020822-A1 | QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | disclosed |