Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | CASP1 | P29466 | 2/20 | 0.58 |
| ▸ | CASP7 | P55210 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.48 |
| ▸ | HTR3B | O95264 | 2/20 | 0.48 |
| ▸ | HTR3A | P46098 | 2/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28064417 | 0.89 | ALDH1A1 (0.61) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28064415 | 0.88 | ALDH1A1 (0.76) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28064421 | 0.88 | ALDH1A1 (0.57) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28827977 | 0.88 | ALDH1A1 (0.60) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28064437 | 0.88 | ALDH1A1 (0.60) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28828010 | 0.76 | ALDH1A1 (0.55) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28064532 | 0.75 | ALDH1A1 (0.54) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28064563 | 0.75 | ALDH1A1 (0.54) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL404714 | 0.70 | HRH4 (0.55) | ALDH1A1KDM4ENPC1RAB9ATP53 | |
| SCHEMBL28064492 | 0.69 | HDAC1 (0.66) | ALDH1A1KMT2AKDM4ESMN1; SMN2HDAC1 |
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-105461723-B | Phthalazines simultaneously assimilation compound of [1,2, b] quinazoline 8 and preparation method thereof and the application in antineoplastic | 广西师范大学 | 2017-12-08 | — | — | CN | disclosed |
| CN-105461723-A | Phthalizine [1,2,b] quinazoline-8-ketone compound and preparation method and application in antitumor drugs of phthalizine [1,2,b] quinazoline-8-ketone compound | UNIV GUANGXI NORMAL | 2016-04-06 | — | — | CN | disclosed |