Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MLYCD | O95822 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 3/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2263516 | 1.00 | ALDH1A1 (0.35) | ALDH1A1MLYCDHPGDMEN1TSHR | |
| Trifluoroacetic Acid SCHEMBL2263517 | 1.00 | ALDH1A1 (0.35) | ALDH1A1MLYCDHPGDMEN1TSHR | |
| Trifluoroacetic Acid SCHEMBL3552982 | 0.97 | MLYCD (0.35) | ALDH1A1MLYCDHPGDMEN1TSHR | |
| Trifluoroacetic Acid SCHEMBL28608906 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| Acetic Acid SCHEMBL28765994 | 0.79 | FFAR3 (0.39) | ALDH1A1HPGDMEN1KMT2AHTT | |
| N-Methylpiperidine SCHEMBL2071509 | 0.78 | ALDH1A1 (0.38) | ALDH1A1MLYCDDPP4DPP7HTT | |
| N-Methylpiperidine SCHEMBL2072770 | 0.78 | ALDH1A1 (0.38) | ALDH1A1MLYCDDPP4DPP7HTT | |
| Trifluoroacetic Acid SCHEMBL1784444 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MLYCDHPGDMEN1TSHR | |
| Trifluoroacetic Acid SCHEMBL2265017 | 0.78 | ALDH1A1 (0.38) | ALDH1A1MLYCDDPP4DPP7HTT | |
| N-Methylpiperidine SCHEMBL2071510 | 0.78 | ALDH1A1 (0.38) | ALDH1A1MLYCDDPP4DPP7HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8470823-B2 | Saturated bicyclic heterocyclic derivatives as SMO antagonists | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) | 2013-06-25 | — | — | US | disclosed |
| US-20110183989-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | Instituto di Ricerche di Biologia Molecolare P. Ang | 2011-07-28 | — | — | 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 (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-20110183989-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | SMO, SHH, GLI1 | ALDH1A1 1864/4885MLYCD 1022/4885HPGD 2334/4885 |
“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.