Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.59 |
| ▸ | CA1 | P00915 | 4/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 3/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | BHMT | Q93088 | 3/20 | 0.34 |
| ▸ | BHMT2 | Q9H2M3 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24153002 | 0.82 | CA2 (0.50) | CA2CA1MAPK1TDP1EPHX1 | |
| SCHEMBL20145272 | 0.78 | — | — | |
| SCHEMBL18664252 | 0.78 | — | — | |
| SCHEMBL276427 | 0.78 | — | — | |
| SCHEMBL24154514 | 0.78 | NOS2 (0.47) | CA2CA1TDP1EPHX1NOS2 | |
| Hydrochloric Acid SCHEMBL17748959 | 0.76 | CA2 (0.71) | CA2CA1MAPK1TDP1CHRM1 | |
| Methane SCHEMBL28580672 | 0.76 | CA2 (0.71) | CA2CA1MAPK1TDP1CHRM1 | |
| Urea SCHEMBL27982383 | 0.75 | TDP1 (0.50) | TDP1EPHX1NOS2NOS3NOS1 | |
| SCHEMBL23079370 | 0.74 | CA2 (0.41) | CA2CA1MAPK1TDP1BHMT | |
| SCHEMBL11054312 | 0.74 | CA2 (0.58) | CA2MAPK1TDP1NOS2NOS3 |
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-2021262731-A2 | MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2021-12-30 | — | — | WO | disclosed |