Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8153855 | 0.95 | PTGS1 (0.54) | KDM4EHPGDALDH1A1NPC1RAB9A | |
| SCHEMBL2225734 | 0.95 | PTGS1 (0.54) | KDM4EHPGDALDH1A1NPC1RAB9A | |
| SCHEMBL7957010 | 0.84 | KDM4E (0.57) | KDM4EHPGDALDH1A1NPC1RAB9A | |
| SCHEMBL23512479 | 0.84 | KDM4E (0.57) | KDM4EHPGDALDH1A1NPC1RAB9A | |
| SCHEMBL7957004 | 0.84 | KDM4E (0.57) | KDM4EHPGDALDH1A1NPC1RAB9A | |
| SCHEMBL13067863 | 0.84 | HDAC2 (0.68) | KDM4EHPGDALDH1A1NPC1RAB9A | |
| Ethylbenzene SCHEMBL27898812 | 0.83 | PTGS2 (0.61) | KDM4EALDH1A1NPC1RAB9APTGS1 | |
| SCHEMBL25146618 | 0.82 | NPC1 (0.55) | KDM4EHPGDALDH1A1NPC1RAB9A | |
| SCHEMBL23082622 | 0.81 | MAOB (0.71) | ALDH1A1NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL10521756 | 0.80 | MAPT (0.56) | KDM4EHPGDALDH1A1NPC1RAB9A |
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-2021119249-A1 | CYCLOPHILIN D INHIBITORS AND USES THEREOF | THE BROAD INSTITUTE, INC. (US) | 2021-06-17 | — | — | WO | disclosed |