Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | IAPP | P10997 | 1/20 | 0.34 |
| ▸ | RBP4 | P02753 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9720280 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1HPGDNPC1 | |
| SCHEMBL16393721 | 0.74 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1RBP4KDM4E | |
| SCHEMBL13235780 | 0.74 | ALDH1A1 (0.55) | ALDH1A1LMNANPC1RAB9APTGS1 | |
| SCHEMBL10398717 | 0.74 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1CA2GAA | |
| SCHEMBL20208030 | 0.74 | ALDH1A1 (0.55) | ALDH1A1LMNANPC1RAB9APTGS1 | |
| SCHEMBL8975793 | 0.73 | L3MBTL1 (0.46) | ALDH1A1TSHRTDP1RBP4CA2 | |
| SCHEMBL11435958 | 0.73 | GABRA1 (0.48) | ALDH1A1TSHRTDP1CA2 | |
| SCHEMBL7924328 | 0.72 | TP53 (0.50) | TSHR | |
| SCHEMBL25956026 | 0.71 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1RBP4NPSR1 | |
| SCHEMBL23581846 | 0.70 | NOS3 (0.55) | ALDH1A1LMNATSHRTDP1HPGD |
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-6303823-B2 | ?CROSSED ALDOL CONDENSATION? OF A KETONE WITH AN ALDEHYDE IN THE PRESENCE OF A CATALYST SYSTEM CONSISTING OF DIMETHYLAMINE OR PYRROLIDINE AND A CARBOXYLIC ACID TO FORM AN ALPHA,BETA-UNSATURATED KETONE | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-16 | — | — | US | disclosed |
| US-20010003784-A1 | Process for preparing ketones, in particular 6-methylheptan-2-one | BASF AKTIENGESELLSCAFT (DE) | 2001-06-14 | — | — | US | disclosed |
| EP-1106597-A1 | Process for the preparation of ketones, especially 6-methyl-heptan-2-one | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-13 | — | — | EP | 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-20010003784-A1 | Process for preparing ketones, in particular 6-methylheptan-2-one | ADH1A, ADH1C, ADH5 | ALDH1A1 54/4885LMNA 733/4885TSHR 3537/4885 |
“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.