Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL951700 | 1.00 | CYP1A2 (0.44) | CYP1A2TDP1TSHRSMN1; SMN2MEN1 | |
| SCHEMBL1473281 | 0.85 | TDP1 (0.56) | CYP1A2TDP1TSHRSMN1; SMN2MEN1 | |
| SCHEMBL30997911 | 0.79 | MEN1 (0.40) | CYP1A2TSHRSMN1; SMN2MEN1KMT2A | |
| SCHEMBL31093806 | 0.79 | TSHR (0.50) | CYP1A2TDP1TSHRSMN1; SMN2MEN1 | |
| SCHEMBL28072926 | 0.79 | TSHR (0.50) | CYP1A2TDP1TSHRSMN1; SMN2MEN1 | |
| SCHEMBL16026726 | 0.76 | TSHR (0.44) | TDP1TSHRSMN1; SMN2MEN1KMT2A | |
| SCHEMBL26985016 | 0.76 | GPR35 (0.44) | CYP1A2TDP1TSHRSMN1; SMN2MEN1 | |
| SCHEMBL18112897 | 0.76 | MEN1 (0.38) | CYP1A2SMN1; SMN2MEN1KMT2AAAK1 | |
| SCHEMBL690072 | 0.76 | GPR35 (0.42) | CYP1A2TDP1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL20594965 | 0.76 | ALDH1A1 (0.38) | TDP1SMN1; SMN2MEN1KMT2AAAK1 |
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 |