Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1190069 | 1.00 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1HDAC1CYP2D6 | |
| SCHEMBL25866796 | 0.92 | CYP1A2 (0.55) | ALDH1A1TSHRTDP1HDAC1CYP2D6 | |
| SCHEMBL9907020 | 0.88 | ALDH1A1 (0.51) | ALDH1A1TSHRTDP1HDAC1CYP2D6 | |
| SCHEMBL3202914 | 0.87 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1HDAC1CYP2D6 | |
| SCHEMBL3202919 | 0.87 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1HDAC1CYP2D6 | |
| SCHEMBL1189825 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TSHRTDP1HDAC1CYP2D6 | |
| SCHEMBL22645114 | 0.85 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1HDAC1CYP2D6 | |
| SCHEMBL1189823 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TSHRTDP1HDAC1CYP2D6 | |
| SCHEMBL1180538 | 0.83 | CYP1A2 (0.42) | ALDH1A1TSHRTDP1HDAC1CYP2D6 | |
| SCHEMBL1180535 | 0.83 | CYP1A2 (0.42) | ALDH1A1TSHRTDP1HDAC1CYP2D6 |
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-8507700-B2 | Method of carbon chain extension using novel aldol reaction | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2013-08-13 | — | — | US | disclosed |
| US-20120289719-A1 | Method Of Carbon Chain Extension Using Novel Aldol Reaction | TRIAD NATIONAL SECURITY, LLC | 2012-11-15 | — | — | US | disclosed |
| US-20110040110-A1 | METHOD OF CARBON CHAIN EXTENSION USING NOVEL ALDOL REACTION | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2011-02-17 | — | — | US | 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-20110040110-A1 | METHOD OF CARBON CHAIN EXTENSION USING NOVEL ALDOL REACTION | AKR1C3, AKR1C2, SOD1 | ALDH1A1 994/4885TSHR 3049/4885TDP1 3594/4885 |
| US-20120289719-A1 | Method Of Carbon Chain Extension Using Novel Aldol Reaction | AKR1C3, AKR1C2, SOD1 | ALDH1A1 1013/4885TSHR 3165/4885TDP1 3505/4885 |
“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.