Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28408861 | 0.86 | TRPA1 (0.40) | NPC1RAB9ASMN1; SMN2TRPA1MEN1 | |
| SCHEMBL28416960 | 0.85 | RAB9A (0.41) | NPC1RAB9ASMN1; SMN2TP53POLB | |
| SCHEMBL28417056 | 0.83 | TRPA1 (0.33) | TRPA1MEN1KMT2AGAA | |
| SCHEMBL28890342 | 0.83 | TRPA1 (0.33) | NPC1RAB9ATRPA1MEN1KMT2A | |
| SCHEMBL28403711 | 0.83 | MEN1 (0.36) | NPC1RAB9ASMN1; SMN2TP53POLB | |
| SCHEMBL28403705 | 0.83 | ALDH1A1 (0.39) | RAB9ATRPA1ALDH1A1MAPTTDP1 | |
| SCHEMBL28409989 | 0.83 | ALDH1A1 (0.39) | SMN1; SMN2POLBTRPA1SLC6A2ALDH1A1 | |
| SCHEMBL28408807 | 0.80 | RAB9A (0.44) | NPC1RAB9ASMN1; SMN2TP53POLB | |
| SCHEMBL28404070 | 0.80 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2TP53POLB | |
| SCHEMBL28414025 | 0.77 | MEN1 (0.41) | RAB9ASMN1; SMN2NFKB1NFKB2RELA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111116487-B | Phthalazine compound, and synthetic method and application thereof | 西北农林科技大学 | 2022-08-23 | — | — | CN | claimed |
| CN-111116487-B | Phthalazine compound, and synthetic method and application thereof | 西北农林科技大学 | 2022-08-23 | — | — | CN | disclosed |
| CN-114560814-A | Synthesis method of substituted 2, 3-phthalazinone compound | 天津理工大学 | 2022-05-31 | — | — | CN | disclosed |
| CN-111116487-A | Phthalazine compound, and synthetic method and application thereof | 西北农林科技大学 | 2020-05-08 | — | — | CN | disclosed |