Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2599820 | 0.88 | CYP2A6 (0.40) | KRASCYP2A6ALDH1A1KDM4EERN1 | |
| SCHEMBL30676344 | 0.85 | HTR3A (0.39) | KRASCYP2A6ALDH1A1KDM4EERN1 | |
| SCHEMBL29122792 | 0.85 | HTR3A (0.39) | KRASCYP2A6ALDH1A1KDM4EERN1 | |
| SCHEMBL29576713 | 0.81 | PTPN1 (0.40) | KRASCYP2A6ALDH1A1KDM4EERN1 | |
| SCHEMBL22774034 | 0.81 | PTPN1 (0.40) | KRASCYP2A6ALDH1A1KDM4EERN1 | |
| SCHEMBL2599754 | 0.81 | ESR2 (0.38) | ALDH1A1KDM4ELMNAIMPDH2OPRM1 | |
| SCHEMBL5437254 | 0.74 | ALDH1A1 (0.66) | KRASCYP2A6ALDH1A1KDM4EERN1 | |
| SCHEMBL13108788 | 0.74 | CYP2A6 (0.44) | KRASCYP2A6ALDH1A1KDM4EERN1 | |
| SCHEMBL2599812 | 0.74 | ALDH1A1 (0.39) | KRASALDH1A1PTPN1LMNA | |
| SCHEMBL28602097 | 0.73 | XDH (0.41) | ALDH1A1KDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2571356-A1 | SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-03-27 | — | — | EP | disclosed |
| US-20130040978-A1 | SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS | MERCK SHARP & DOHME CORP | 2013-02-14 | — | — | US | disclosed |
| WO-2011146324-A1 | SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-11-24 | — | — | 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-20130040978-A1 | SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS | SSTR5, SSTR2, SSTR1 | KRAS 4184/4885CYP2A6 2727/4885ALDH1A1 1103/4885 |
“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.