Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MAT2A | P31153 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL31053833 | 1.00 | ALDH1A1 (0.42) | ALDH1A1PKMCA12CA1CA2 | |
| SCHEMBL31053862 | 0.79 | GAA (0.45) | ALDH1A1HPGDKDM4EMEN1GAA | |
| SCHEMBL25027280 | 0.79 | GAA (0.45) | ALDH1A1HPGDKDM4EMEN1GAA | |
| SCHEMBL30137406 | 0.76 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL1725269 | 0.75 | CA12 (0.55) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL10666477 | 0.75 | CA12 (0.46) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL20336332 | 0.75 | ALDH1A1 (0.49) | ALDH1A1PKMNPC1NOS3NOS2 | |
| SCHEMBL10842118 | 0.75 | KMT2A (0.51) | HPGDNPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL3343087 | 0.69 | CA12 (0.38) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL18587118 | 0.69 | ALDH1A1 (0.42) | ALDH1A1PKMNPC1NOS3NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023016518-A1 | HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2023-02-16 | — | — | WO | disclosed |