Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.39 |
| ▸ | MPL | P40238 | 3/20 | 0.36 |
| ▸ | AR | P10275 | 4/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15157757 | 1.00 | SLC6A4 (0.44) | SLC6A4AKR1C3AKR1C2AKR1B10AKR1C4 | |
| SCHEMBL2397716 | 1.00 | SLC6A4 (0.44) | SLC6A4AKR1C3AKR1C2AKR1B10AKR1C4 | |
| SCHEMBL2399594 | 0.87 | CTSS (0.36) | SLC6A4AKR1C3AKR1C2AKR1B10AKR1C4 | |
| SCHEMBL15157447 | 0.86 | KIF11 (0.42) | SLC6A4PDE2A | |
| SCHEMBL4020708 | 0.86 | KIF11 (0.42) | SLC6A4PDE2A | |
| SCHEMBL15157706 | 0.86 | KIF11 (0.42) | SLC6A4PDE2A | |
| SCHEMBL16464215 | 0.83 | TRPV3 (0.40) | MPLARAKT1EPHX1PDE2A | |
| SCHEMBL8511924 | 0.83 | TRPV3 (0.40) | MPLARAKT1EPHX1PDE2A | |
| SCHEMBL14980642 | 0.83 | ANPEP (0.39) | SLC6A4MPLARAKT1EPHX1 | |
| SCHEMBL8511925 | 0.83 | TRPV3 (0.40) | MPLARAKT1EPHX1PDE2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2809669-B1 | FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS | SANOFI SA (FR) | 2017-02-01 | — | — | EP | disclosed |
| EP-2200982-B1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2012-03-14 | — | — | EP | disclosed |
| US-20110021565-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | KNUST HENNER | 2011-01-27 | — | — | US | disclosed |
| US-20090192206-A1 | MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS | VAN LOMMEN GUY ROSALIA EUGEEN | 2009-07-30 | — | — | US | disclosed |
| US-20090192206-A1 | MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS | VAN LOMMEN GUY ROSALIA EUGEEN | 2009-07-30 | — | — | US | disclosed |
| US-7511068-B2 | Mercaptoimidazoles as CCR2 receptor antagonists | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-03-31 | — | — | US | disclosed |
| US-7511068-B2 | Mercaptoimidazoles as CCR2 receptor antagonists | JANSSEN PHARMACEUTICA, N.V. (BE) | 2009-03-31 | — | — | US | disclosed |
| US-20090076081-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2009-03-19 | — | — | 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 (3 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-20090076081-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | DRD2, DRD3, OPRL1 | SLC6A4 201/4885AKR1C3 668/4885AKR1C2 788/4885 |
| US-20110021565-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | DRD2, DRD3, OPRL1 | SLC6A4 201/4885AKR1C3 668/4885AKR1C2 788/4885 |
| US-20090192206-A1 | MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS | CCR2, CCR1, CXCR3 | SLC6A4 1250/4885AKR1C3 96/4885AKR1C2 315/4885 |
“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.