Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12276489 | 1.00 | TRPA1 (0.55) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10277228 | 1.00 | TRPA1 (0.55) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4606568 | 0.91 | TRPA1 (0.50) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4606569 | 0.91 | TRPA1 (0.50) | TRPA1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2414235 | 0.85 | MAPT (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16065669 | 0.85 | MAPT (0.46) | NPC1RAB9AAKR1C3 | |
| SCHEMBL4217444 | 0.85 | MAPT (0.53) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9335450 | 0.85 | KDM4E (0.55) | — | |
| SCHEMBL28502066 | 0.85 | MAPT (0.46) | NPC1RAB9AAKR1C3 | |
| SCHEMBL5606968 | 0.85 | KDM4E (0.55) | — |
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-108291108-B | Coating agent | 日本曹达株式会社 | 2020-12-18 | — | — | CN | disclosed |
| EP-2661432-B1 | PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2014-11-19 | — | — | EP | disclosed |
| US-8618303-B2 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-12-31 | — | — | US | disclosed |
| EP-2661432-A1 | PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-11-13 | — | — | EP | disclosed |
| US-20120178761-A1 | PYRROLIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-12 | — | — | US | disclosed |
| WO-2012093109-A1 | PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-12 | — | — | 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-20120178761-A1 | PYRROLIDINE DERIVATIVES | SLC6A3, NPSR1, TACR1 | TRPA1 615/4885HDAC3 1024/4885HDAC4 2128/4885 |
“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.