Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.45 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13971382 | 1.00 | CYP2A6 (0.54) | CYP2A6MMP2MMP9MMP8SMN1; SMN2 | |
| SCHEMBL21309831 | 0.88 | CYP2A6 (0.54) | CYP2A6MMP2MMP9MMP8SMN1; SMN2 | |
| SCHEMBL14947066 | 0.88 | CYP2A6 (0.54) | CYP2A6MMP2MMP9MMP8SMN1; SMN2 | |
| SCHEMBL8432969 | 0.88 | CYP2A6 (0.54) | CYP2A6MMP2MMP9MMP8SMN1; SMN2 | |
| SCHEMBL21309823 | 0.84 | OPRM1 (0.50) | CYP2A6MMP2MMP9MMP8SMN1; SMN2 | |
| SCHEMBL24709579 | 0.83 | CYP2A6 (0.53) | CYP2A6MMP2MMP9MMP8SMN1; SMN2 | |
| SCHEMBL18866898 | 0.81 | MMP2 (0.50) | CYP2A6MMP2MMP9MMP8SMN1; SMN2 | |
| SCHEMBL14048310 | 0.81 | MMP2 (0.52) | CYP2A6MMP2MMP9MMP8SMN1; SMN2 | |
| SCHEMBL12727418 | 0.81 | MMP2 (0.52) | CYP2A6MMP2MMP9MMP8SMN1; SMN2 | |
| SCHEMBL20976930 | 0.81 | MMP2 (0.52) | CYP2A6MMP2MMP9MMP8SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210238225-A1 | PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2021-08-05 | — | — | 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-20210238225-A1 | PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) | PIN1, PPIA, PPIE | CYP2A6 3250/4885MMP2 1163/4885MMP9 1596/4885 |
“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.