Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9311678 | 0.77 | ESR1 (0.65) | NPC1RAB9ACES2CES1TDP1 | |
| SCHEMBL16897249 | 0.77 | TDP1 (0.61) | NPC1RAB9ACES2CES1TDP1 | |
| SCHEMBL775484 | 0.75 | CES2 (0.65) | NPC1RAB9ACES2CES1TDP1 | |
| SCHEMBL6554993 | 0.75 | LMNA (0.74) | NPC1RAB9ACES2CES1TDP1 | |
| SCHEMBL677185 | 0.75 | TDP1 (0.59) | NPC1RAB9ACES2CES1TDP1 | |
| SCHEMBL28171829 | 0.73 | CES2 (0.63) | NPC1RAB9ACES2CES1TDP1 | |
| SCHEMBL9621660 | 0.72 | ALDH1A1 (0.44) | CES2CES1TDP1ESR1ALDH1A1 | |
| SCHEMBL918997 | 0.72 | ORAI1 (0.42) | CES2CES1TDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL104409 | 0.72 | PARP10 (0.59) | NPC1RAB9ACES2CES1TDP1 | |
| Acetic Acid SCHEMBL776224 | 0.72 | CES2 (0.61) | NPC1RAB9ACES2CES1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060058553-A1 | Novel bicyclic hydroxamates as inhibitors of histone deacetylase | AXYS PHARMACEUTICALS, INC. (US) | 2006-03-16 | — | — | US | disclosed |
| EP-1472216-A2 | NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE | Axys Pharmaceuticals (US) | 2004-11-03 | — | — | EP | disclosed |
| WO-2003066579-A2 | NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARMACEUTICALS (US) | 2003-08-14 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060058553-A1 | Novel bicyclic hydroxamates as inhibitors of histone deacetylase | HDAC1, HDAC2, HDAC11 | NPC1 1981/4885RAB9A 4100/4885CES2 718/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.