Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28342547 | 0.88 | ALDH1A1 (0.56) | ALDH1A1HPGDNPC1P2RY1MEN1 | |
| SCHEMBL12273225 | 0.86 | TSHR (0.49) | ALDH1A1HPGDNPC1P2RY1MEN1 | |
| SCHEMBL9750606 | 0.85 | P2RY1 (0.51) | ALDH1A1HPGDNPC1P2RY1MEN1 | |
| SCHEMBL6195865 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HPGDNPC1P2RY1MEN1 | |
| SCHEMBL23742065 | 0.84 | HPGD (0.48) | ALDH1A1HPGDNPC1P2RY1MEN1 | |
| SCHEMBL9750695 | 0.84 | P2RY1 (0.48) | ALDH1A1HPGDNPC1P2RY1MEN1 | |
| SCHEMBL8507216 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HPGDP2RY1MEN1KMT2A | |
| SCHEMBL2145779 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HPGDNPC1P2RY1MEN1 | |
| SCHEMBL20803509 | 0.80 | CSNK1D (0.48) | ALDH1A1HPGDNPC1P2RY1MEN1 | |
| SCHEMBL2901073 | 0.80 | MEN1 (0.51) | ALDH1A1HPGDNPC1P2RY1MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1257886-C | Dehydroamino acids compounds | HOFFMANN LA ROCHE (CH) | 2006-05-31 | — | — | CN | disclosed |
| CN-1398252-A | dehydroamino acid compounds | HOFFMANN LA ROCHE (CH) | 2003-02-19 | — | — | CN | disclosed |
| US-6515124-B2 | (Z)-2-((2-bromo-4-(((3-hydroxybenzyl)amino)carbonyl)benzoyl) -amino)pent-2-enoic acid, for example; useful for treating psoriasis | HOFFMAN-LA ROCHE INC. | 2003-02-04 | — | — | US | disclosed |
| EP-1261579-A1 | DEHYDROAMINO ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-12-04 | — | — | EP | disclosed |
| US-20020161237-A1 | Dehydroamino acids | HOFFMANN-LA ROCHE INC. | 2002-10-31 | — | — | US | disclosed |
| WO-2001058853-A1 | DEHYDROAMINO ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-08-16 | — | — | 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-20020161237-A1 | Dehydroamino acids | HSD3B1, CYP8B1, TH | ALDH1A1 1300/4885HPGD 153/4885NPC1 3708/4885 |
“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.