Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | GCGR | P47871 | 1/20 | 0.37 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.36 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 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 | |
|---|---|---|---|---|
| SCHEMBL21937071 | 0.85 | KDM1A (0.43) | KDM1AMAOBDRD4KDM4EALDH1A1 | |
| SCHEMBL16905588 | 0.83 | CNR2 (0.41) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16905564 | 0.82 | CNR2 (0.43) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16905608 | 0.82 | ALOX5AP (0.36) | NOTUM | |
| SCHEMBL21938123 | 0.79 | KDM1A (0.39) | KDM1AMAOBDRD4KDM4EALDH1A1 | |
| SCHEMBL21937205 | 0.79 | CNR2 (0.34) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16905416 | 0.78 | ALOX5AP (0.34) | — | |
| SCHEMBL16905221 | 0.78 | FEN1 (0.41) | — | |
| SCHEMBL16812194 | 0.77 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18790584 | 0.77 | KDM1A (0.44) | KDM1AKDM4EALDH1A1NPC1RAB9A |
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-2020064662-A2 | METHOD FOR PRODUCING STERICALLY HINDERED, NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2020-04-02 | — | — | WO | disclosed |