Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL24374384 | 0.81 | KDM4E (0.50) | CYP1A2KMT2AMEN1RAB9AHPGD | |
| SCHEMBL21290344 | 0.74 | NPC1 (0.48) | RAB9AHPGDHSD17B10MAPK1ALDH1A1 | |
| SCHEMBL24703435 | 0.73 | MAPT (0.33) | TSHRRAB9AHSD17B10ATMALDH1A1 | |
| SCHEMBL18939678 | 0.70 | TSHR (0.37) | TSHRCYP1A2CYP2A6NCEH1KMT2A | |
| SCHEMBL27401064 | 0.69 | KMT2A (0.47) | CYP1A2KMT2AMEN1RAB9AHPGD | |
| SCHEMBL17067963 | 0.68 | CYP2A6 (0.47) | TSHRCYP1A2CYP2A6NCEH1KMT2A | |
| SCHEMBL19185816 | 0.68 | HDAC1 (0.45) | CYP1A2KMT2AMEN1RAB9AMAPK1 | |
| SCHEMBL25634586 | 0.68 | TSHR (0.56) | TSHRCYP1A2CYP2A6NCEH1RAB9A | |
| SCHEMBL24004141 | 0.67 | GAA (0.51) | CYP1A2KMT2AMEN1RAB9AHPGD | |
| SCHEMBL21290366 | 0.67 | NPC1 (0.47) | RAB9AHPGDHSD17B10MAPK1ALDH1A1 |
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-2019179909-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-09-26 | — | — | WO | disclosed |