Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ESRRA | P11474 | 1/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7603669 | 1.00 | CXCR4 (0.63) | CXCR4NPC1RAB9ASIGMAR1HDAC6 | |
| Hydrochloric Acid SCHEMBL31169762 | 0.98 | CXCR4 (0.61) | CXCR4NPC1RAB9ASIGMAR1HDAC6 | |
| SCHEMBL10349210 | 0.98 | CXCR4 (0.65) | CXCR4NPC1RAB9ASIGMAR1HDAC6 | |
| SCHEMBL23023087 | 0.94 | CXCR4 (0.65) | CXCR4NPC1RAB9ASIGMAR1HDAC6 | |
| Decarboxylated Derivative SCHEMBL25372998 | 0.92 | SIGMAR1 (0.57) | CXCR4NPC1RAB9ASIGMAR1HDAC6 | |
| SCHEMBL2934330 | 0.90 | CXCR4 (0.69) | CXCR4NPC1RAB9ASIGMAR1HDAC6 | |
| SCHEMBL16083006 | 0.90 | CXCR4 (0.69) | CXCR4NPC1RAB9ASIGMAR1HDAC6 | |
| SCHEMBL18096446 | 0.87 | CXCR4 (0.57) | CXCR4NPC1RAB9ASIGMAR1HDAC6 | |
| SCHEMBL8826390 | 0.85 | HTT (0.58) | CXCR4NPC1RAB9ASIGMAR1HDAC6 | |
| SCHEMBL8493195 | 0.83 | ALDH1A1 (0.56) | CXCR4NPC1RAB9ASIGMAR1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-20210053997-A1 | TRNA SYNTHETASE INHIBITORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2021-02-25 | — | — | US | disclosed |
| EP-1519938-B1 | SYNTHESIS OF PURINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-04-11 | — | — | EP | disclosed |
| EP-0208200-A1 | Phenylacetic-acid derivatives, pharmaceutical compositions containing them and processes for their production | Dr. Karl Thomae GmbH (DE) | 1987-01-14 | — | — | EP | 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-20210053997-A1 | TRNA SYNTHETASE INHIBITORS | TRMT1, AARS1, GARS1 | CXCR4 4760/4885NPC1 3005/4885RAB9A 2776/4885 |
“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.