Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30944694 | 0.85 | CA1 (0.54) | CA1CA2CYP2A6TDP1MGLL | |
| SCHEMBL29952114 | 0.76 | CA1 (0.46) | CA1CA2CYP2A6TDP1MGLL | |
| SCHEMBL4202551 | 0.76 | CA1 (0.46) | CA1CA2CYP2A6TDP1MGLL | |
| SCHEMBL3928078 | 0.76 | CA2 (0.36) | CA1CA2KDM4EHSD17B10CYP1A2 | |
| SCHEMBL29518518 | 0.76 | CYP2A6 (0.55) | CYP2A6TDP1CYP1A2BRD4ALDH1A1 | |
| SCHEMBL234439 | 0.76 | CYP2A6 (0.55) | CYP2A6TDP1CYP1A2BRD4ALDH1A1 | |
| SCHEMBL25173525 | 0.74 | CA1 (0.45) | CA1CA2CYP2A6TDP1MGLL | |
| SCHEMBL18660264 | 0.74 | CA1 (0.45) | CA1CA2CYP2A6TDP1MGLL | |
| SCHEMBL2168693 | 0.74 | CA1 (0.45) | CA1CA2CYP2A6TDP1MGLL | |
| SCHEMBL19642781 | 0.74 | CA1 (0.45) | CA1CA2CYP2A6TDP1MGLL |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |