Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | POLB | P06746 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | BAZ2B | Q9UIF8 | 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 | |
|---|---|---|---|---|
| SCHEMBL18073236 | 0.82 | ALDH1A1 (0.53) | ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL2417478 | 0.80 | POLB (0.64) | ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL3548365 | 0.79 | NPC1 (0.46) | ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL5455490 | 0.79 | POLB (0.46) | ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL27158601 | 0.79 | POLB (0.46) | ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL6996600 | 0.76 | POLB (0.37) | ALDH1A1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6996604 | 0.76 | POLB (0.37) | ALDH1A1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL19736948 | 0.72 | TSHR (0.36) | ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL27883876 | 0.72 | ALDH1A1 (0.44) | ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL10426958 | 0.71 | TDP1 (0.53) | ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C19 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110770233-B | Fused bicyclic compound and application thereof in medicine | 广东东阳光药业有限公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-110770233-A | Fused bicyclic compound and application thereof in medicine | 广东东阳光药业有限公司 | 2020-02-07 | — | — | CN | disclosed |
| US-20080139547-A1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | PHARMACYCLICS, INC. (US) | 2008-06-12 | — | — | US | disclosed |
| US-7368572-B2 | Acetylene derivatives as inhibitors of histone deacetylase | PHARMACYCLICS, INC. (US) | 2008-05-06 | — | — | US | disclosed |
| EP-1656348-B1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARM INC (US) | 2007-02-07 | — | — | EP | disclosed |
| EP-1656348-A1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARMACEUTICALS, INC. (US) | 2006-05-17 | — | — | EP | disclosed |
| US-20050131018-A1 | Acetylene derivatives as inhibitors of histone deacetylase | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-16 | — | — | US | disclosed |
| WO-2005019174-A1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-03 | — | — | 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 (2 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-20080139547-A1 | ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | HDAC1, HDAC10, HDAC2 | ALDH1A1 429/4885POLB 433/4885SMN1; SMN2 3020/4885 |
| US-20050131018-A1 | Acetylene derivatives as inhibitors of histone deacetylase | HDAC1, HDAC10, HDAC2 | ALDH1A1 429/4885POLB 433/4885SMN1; SMN2 3020/4885 |
“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.