Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | HPGDS | O60760 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | RAB9A | P51151 | 5/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17486348 | 0.93 | MEN1 (0.35) | KDM4ESMN1; SMN2RAB9ALMNAMAPT | |
| SCHEMBL17486208 | 0.88 | MEN1 (0.34) | KDM4ESMN1; SMN2MAPTHPGDALDH1A1 | |
| SCHEMBL17486350 | 0.85 | CYP2A6 (0.39) | GRM5SMN1; SMN2RAB9ATP53MAPT | |
| SCHEMBL17486223 | 0.85 | KDM4E (0.42) | KDM4ETDP1GRM5HPGDSSMN1; SMN2 | |
| SCHEMBL17486202 | 0.81 | RARG (0.35) | KDM4ESMN1; SMN2RAB9AMAPTHPGD | |
| SCHEMBL17486212 | 0.81 | MEN1 (0.34) | KDM4ESMN1; SMN2RAB9AMAPTHPGD | |
| SCHEMBL17486251 | 0.79 | — | — | |
| SCHEMBL17486354 | 0.78 | CYP1A2 (0.41) | NPC1 | |
| SCHEMBL17486352 | 0.78 | DGAT1 (0.32) | MAPT | |
| SCHEMBL17486353 | 0.77 | SMN1; SMN2 (0.35) | KDM4ESMN1; SMN2TP53LMNAMAPT |
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-2016015815-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2016-02-04 | — | — | WO | disclosed |