Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25412731 | 0.81 | KAT2B (0.46) | CASP3ALDH1A1PKMPOLBPIN1 | |
| SCHEMBL24774078 | 0.78 | ALDH1A1 (0.41) | ALDH1A1PKMPOLBPIN1PIN4 | |
| SCHEMBL524126 | 0.76 | ALDH1A1 (0.67) | ALDH1A1POLBKDM4EMAPTKMT2A | |
| SCHEMBL10439810 | 0.76 | CASP3 (0.49) | CASP3ALDH1A1PKMPOLBPIN1 | |
| SCHEMBL15235653 | 0.75 | POLB (0.47) | CASP3ALDH1A1PKMPOLBPIN1 | |
| SCHEMBL7462959 | 0.75 | ALDH1A1 (0.61) | ALDH1A1PKMPOLBKDM4ESMN1; SMN2 | |
| SCHEMBL22122221 | 0.74 | ALDH1A1 (0.45) | ALDH1A1PKMPOLBKDM4EMAPT | |
| SCHEMBL5163732 | 0.74 | GSK3A (0.66) | CASP3ALDH1A1POLBKDM4ESMN1; SMN2 | |
| SCHEMBL2754581 | 0.74 | ALDH1A1 (0.49) | ALDH1A1POLBKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL25669461 | 0.74 | LPAR1 (0.56) | ALDH1A1POLBPIN1PIN4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023170174-A1 | METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE | UNIVERSITY OF COPENHAGEN (DK) | 2023-09-14 | — | — | WO | disclosed |
| WO-2020132597-A1 | COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF | Revolution Medicines, Inc. (US) | 2020-06-25 | — | — | WO | disclosed |