Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL13978223 | 0.79 | NPC1 (0.45) | CES2CES1KDM4EKMT2ANPC1 | |
| SCHEMBL13977941 | 0.77 | KDM4E (0.46) | CES2CES1KDM4EKMT2ANPC1 | |
| SCHEMBL18909543 | 0.71 | KDM4E (0.46) | CES2CES1KDM4EKMT2ANPC1 | |
| SCHEMBL19889808 | 0.70 | KDM4E (0.44) | CES2CES1KDM4EKMT2ANPC1 | |
| SCHEMBL19785756 | 0.67 | CES2 (0.50) | CES2CES1KDM4EKMT2ANPC1 | |
| SCHEMBL21953560 | 0.67 | KDM4E (0.48) | CES2CES1KDM4EKMT2ANPC1 | |
| SCHEMBL18087488 | 0.66 | CES2 (0.48) | CES2CES1KDM4EKMT2ANPC1 | |
| SCHEMBL18653617 | 0.65 | NPC1 (0.54) | CES2CES1KDM4EKMT2ANPC1 | |
| SCHEMBL20903539 | 0.65 | KDM4E (0.42) | CES2CES1KDM4EKMT2ANPC1 | |
| SCHEMBL1255064 | 0.64 | CES2 (0.56) | CES2CES1KDM4EKMT2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023250157-A9 | INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE | CORNELL UNIVERSITY (US) | 2024-01-25 | — | — | WO | disclosed |
| WO-2012156920-A1 | BIO-ORTHOGONAL DRUG ACTIVATION | KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) | 2012-11-22 | — | — | WO | disclosed |