Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.74 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.53 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.53 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Isonicotinic Acid SCHEMBL1108 | 0.86 | — | — | |
| Isonicotinic Acid SCHEMBL1414914 | 0.86 | NAPRT (1.00) | NAPRTPLOD2PLOD3PLOD1SRD5A2 | |
| Isonicotinic Acid SCHEMBL25273146 | 0.84 | NAPRT (0.94) | NAPRTPLOD2PLOD3PLOD1SRD5A2 | |
| Isonicotinic Acid SCHEMBL1025948 | 0.84 | NAPRT (0.94) | NAPRTPLOD2PLOD3PLOD1SRD5A2 | |
| Isonicotinic Acid SCHEMBL17375273 | 0.84 | NAPRT (0.94) | NAPRTPLOD2PLOD3PLOD1SRD5A2 | |
| Isonicotinic Acid SCHEMBL25270920 | 0.84 | NAPRT (0.94) | NAPRTPLOD2PLOD3PLOD1SRD5A2 | |
| Isonicotinic Acid SCHEMBL25269381 | 0.84 | NAPRT (0.94) | NAPRTPLOD2PLOD3PLOD1SRD5A2 | |
| Isonicotinic Acid SCHEMBL25271512 | 0.84 | NAPRT (0.94) | NAPRTPLOD2PLOD3PLOD1SRD5A2 | |
| Isonicotinic Acid SCHEMBL11323099 | 0.84 | NAPRT (0.94) | NAPRTPLOD2PLOD3PLOD1SRD5A2 | |
| Isonicotinic Acid SCHEMBL25261208 | 0.84 | NAPRT (0.94) | NAPRTPLOD2PLOD3PLOD1SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105934435-B | Compounds useful as inhibitors of ATR kinase, preparation thereof, and radiolabeled derivatives thereof | 沃泰克斯药物股份有限公司 | 2019-02-22 | — | — | CN | disclosed |
| CN-105934435-A | 2-amino-6-fluoro-N- [ 5-fluoro-pyridin-3-yl ] pyrazolo [1, 5-a ] pyrimidine-3-carboxamide compounds as ATR kinase inhibitors, their preparation, different solid forms, and radiolabeled derivatives thereof | 沃泰克斯药物股份有限公司 | 2016-09-07 | — | — | CN | disclosed |