Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29655051 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CYP19A1NPC1RAB9ALMNA | |
| SCHEMBL27710643 | 0.75 | TSHR (0.45) | PGRALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL29655097 | 0.75 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9ALMNATSHR | |
| SCHEMBL15570821 | 0.73 | CYP19A1 (0.54) | PGRALDH1A1CYP19A1NPC1RAB9A | |
| SCHEMBL11899912 | 0.71 | TDP1 (0.66) | ALDH1A1LMNATSHRF7F3 | |
| SCHEMBL27710597 | 0.70 | CA2 (0.40) | PGRALDH1A1NPC1TDP1MEN1 | |
| SCHEMBL2935984 | 0.70 | P2RX1 (0.43) | ALDH1A1LMNATSHRGAAMAPT | |
| SCHEMBL13917956 | 0.69 | TSHR (0.57) | PGRALDH1A1CYP19A1NPC1RAB9A | |
| SCHEMBL6649940 | 0.69 | LMNA (0.54) | PGRALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL1172437 | 0.69 | CYP19A1 (0.55) | PGRALDH1A1CYP19A1LMNATSHR |
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 |