Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 3/20 | 0.51 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | AKT2 | P31751 | 1/20 | 0.45 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3100018 | 0.88 | ALDH1A1 (0.53) | ALDH1A1HDAC1OPRM1TP53HTT | |
| SCHEMBL7907628 | 0.80 | NPC1 (0.51) | ALDH1A1CYP2C9KDM4EHDAC1OPRM1 | |
| SCHEMBL13102482 | 0.80 | NPC1 (0.51) | ALDH1A1CYP2C9KDM4EHDAC1OPRM1 | |
| SCHEMBL13092152 | 0.80 | TACR1 (0.49) | ALDH1A1CYP2C9ROCK2AKT1AKT2 | |
| SCHEMBL7912225 | 0.80 | ALDH1A1 (0.53) | ALDH1A1ROCK2HDAC1OPRM1TP53 | |
| SCHEMBL5888338 | 0.80 | PIN1 (0.50) | ITGA4ITGB7ALDH1A1HDAC1PIN1 | |
| SCHEMBL6543233 | 0.79 | ALDH1A1 (0.69) | ALDH1A1ROCK2HDAC1OPRM1HTT | |
| SCHEMBL7902182 | 0.76 | ALDH1A1 (0.55) | ITGA4ITGB7ALDH1A1ROCK2HDAC1 | |
| SCHEMBL13092262 | 0.76 | ALDH1A1 (0.47) | ITGA4ITGB7ALDH1A1CYP2C9PIN1 | |
| SCHEMBL2467934 | 0.75 | C3AR1 (0.47) | ITGA4ITGB7TP53TACR1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8324250-B2 | Piperidine derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-8324250-B2 | Piperidine derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-20100256126-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-10-07 | — | — | US | disclosed |
| US-20100256126-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-10-07 | — | — | US | disclosed |
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | 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-20100256126-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HTR3A, OPRL1, OPRK1 | ITGA4 691/4885ITGB7 1278/4885ALDH1A1 480/4885 |
“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.