Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 3/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 4/20 | 0.37 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL3952657 | 1.00 | MEN1 (0.41) | MEN1KMT2ANOS1NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL5228466 | 0.97 | MEN1 (0.40) | MEN1KMT2ANOS1NOS3NOS2 | |
| Dimethylamine SCHEMBL8811519 | 0.85 | PDPK1 (0.45) | MEN1KMT2ANOS1NOS3NOS2 | |
| SCHEMBL3290310 | 0.84 | MEN1 (0.56) | MEN1KMT2ANOS1NOS3NOS2 | |
| Urea SCHEMBL29139836 | 0.81 | ATM (0.42) | MEN1KMT2ANOS1NOS3NOS2 | |
| SCHEMBL25796871 | 0.79 | CA2 (0.38) | MEN1KMT2ANOS1NOS3NOS2 | |
| SCHEMBL11806253 | 0.79 | PNMT (0.47) | KDM1AKDM1BHTR2AHTR2CCYP1A2 | |
| SCHEMBL27053505 | 0.79 | CA2 (0.38) | MEN1KMT2ANOS1NOS3NOS2 | |
| Acetamide SCHEMBL5985486 | 0.77 | POLB (0.39) | MEN1KMT2ANOS1NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL11812202 | 0.77 | PNMT (0.46) | KDM1AKDM1BHTR2AIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049491-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008019124-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |