Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HK1 | P19367 | 1/20 | 0.47 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.47 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29071715 | 0.79 | RAB9A (0.47) | RAB9AALDH1A1HPGDNPC1SMN1; SMN2 | |
| SCHEMBL29071592 | 0.79 | TDO2 (0.46) | RAB9AALDH1A1NPC1SMN1; SMN2TP53 | |
| SCHEMBL29071722 | 0.79 | KDM4E (0.47) | MAPTMEN1KMT2AKDM4EIDO1 | |
| SCHEMBL29071598 | 0.77 | MAPT (0.40) | RAB9AALDH1A1MAPTIKBKBNPC1 | |
| SCHEMBL29071713 | 0.75 | TDO2 (0.50) | ALDH1A1MAPTHPGDTP53KMT2A | |
| SCHEMBL29546450 | 0.68 | ALDH1A1 (0.52) | RAB9AALDH1A1MAPTHPGDHK1 | |
| SCHEMBL312091 | 0.68 | ALDH1A1 (0.52) | RAB9AALDH1A1MAPTHPGDHK1 | |
| SCHEMBL22305921 | 0.67 | ALDH1A1 (0.42) | RAB9AALDH1A1MAPTHPGDHK1 | |
| SCHEMBL15624388 | 0.66 | ALDH1A1 (0.50) | RAB9AALDH1A1MAPTHPGDHK1 | |
| SCHEMBL29398919 | 0.66 | ALDH1A1 (0.50) | RAB9AALDH1A1MAPTHPGDHK1 |
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-116535356-A | 3-amino-5-phenyl-pyrazole derivative tubulin inhibitor and preparation and medical application thereof | 中国药科大学 | 2023-08-04 | — | — | CN | disclosed |