Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 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 | |
|---|---|---|---|---|
| SCHEMBL4048618 | 1.00 | TDP1 (0.70) | TDP1MEN1KMT2AKCNH2ALDH1A1 | |
| SCHEMBL12772920 | 0.87 | TDP1 (0.93) | TDP1MEN1KMT2AKCNH2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1646515 | 0.84 | TDP1 (0.88) | TDP1MEN1KMT2AKCNH2ALDH1A1 | |
| SCHEMBL29349835 | 0.84 | TDP1 (1.00) | TDP1MEN1KMT2AKCNH2ALDH1A1 | |
| SCHEMBL23855 | 0.84 | TDP1 (1.00) | TDP1MEN1KMT2AKCNH2ALDH1A1 | |
| SCHEMBL3823490 | 0.83 | ALDH1A1 (0.65) | TDP1MEN1KMT2AALDH1A1CYP11B1 | |
| SCHEMBL15234491 | 0.83 | CYP1A1 (0.51) | TDP1MEN1KMT2AALDH1A1TAAR1 | |
| SCHEMBL28701511 | 0.83 | TDP1 (0.67) | TDP1MEN1KMT2AKCNH2ALDH1A1 | |
| SCHEMBL15234523 | 0.83 | CYP1A1 (0.51) | TDP1MEN1KMT2AALDH1A1TAAR1 | |
| Water SCHEMBL3137651 | 0.81 | TDP1 (0.93) | TDP1MEN1KMT2AKCNH2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109843874-B | Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer | 加利福尼亚大学董事会 | 2022-05-27 | — | — | CN | disclosed |