Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 9/20 | 0.62 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.55 |
| ▸ | PARP1 | P09874 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.48 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.48 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.48 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL29098941 | 0.85 | PARP10 (0.63) | PARP10PARP4PARP1CA1CA2 | |
| SCHEMBL7642130 | 0.84 | PARP10 (0.74) | PARP10PARP4PARP1CA1CA2 | |
| SCHEMBL56532 | 0.84 | PARP10 (0.74) | PARP10PARP4PARP1CA1CA2 | |
| Terephthalamide SCHEMBL437011 | 0.84 | PARP10 (0.74) | PARP10PARP4PARP1CA1CA2 | |
| SCHEMBL3948590 | 0.83 | PARP10 (0.61) | PARP10PARP4PARP1CA1CA2 | |
| Hydrochloric Acid SCHEMBL4408462 | 0.82 | PARP10 (0.71) | PARP10PARP4PARP1CA1CA2 | |
| Water SCHEMBL6343332 | 0.82 | PARP10 (0.71) | PARP10PARP4PARP1CA1CA2 | |
| SCHEMBL11600003 | 0.82 | PARP10 (0.84) | PARP10PARP4PARP1CA1CA2 | |
| Ethyl Acetate SCHEMBL5925615 | 0.81 | LMNA (0.62) | PARP10PARP4PARP1CA1CA2 | |
| Benzamide SCHEMBL28826558 | 0.81 | PARP1 (0.70) | PARP10PARP4PARP1CA1CA2 |
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-105884699-B | 4- substituted aniline quinazoline derivative and its preparation method and application | 中国药科大学 | 2019-05-07 | — | — | CN | disclosed |
| CN-105884699-A | 4-substituted anilinoquinazoline derivatives, and preparation method and application thereof | 中国药科大学 | 2016-08-24 | — | — | CN | disclosed |