Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.35 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.35 |
| ▸ | TUBA1A | Q71U36 | 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 | |
|---|---|---|---|---|
| SCHEMBL1042656 | 0.83 | TUBB4A (0.42) | CYP3A4TDP1CA12CA1CA2 | |
| SCHEMBL31566366 | 0.81 | CYP3A4 (0.35) | CYP3A4TDP1TUBB4ATUBBTUBA3C | |
| SCHEMBL31566365 | 0.81 | CYP3A4 (0.35) | CYP3A4TDP1TUBB4ATUBBTUBA3C | |
| SCHEMBL301210 | 0.81 | CYP3A4 (0.35) | CYP3A4TDP1TUBB4ATUBBTUBA3C | |
| SCHEMBL30138955 | 0.80 | TDP1 (0.44) | CYP3A4TDP1CA12CA1CA2 | |
| SCHEMBL28906246 | 0.80 | TDP1 (0.44) | CYP3A4TDP1CA12CA1CA2 | |
| SCHEMBL12446368 | 0.78 | CYP3A4 (0.42) | CYP3A4TDP1MAPTKDM4EALDH1A1 | |
| SCHEMBL29597288 | 0.78 | CYP3A4 (0.42) | CYP3A4TDP1MAPTKDM4EALDH1A1 | |
| SCHEMBL458496 | 0.76 | LMNA (0.40) | CYP3A4TDP1CA12CA1CA2 | |
| SCHEMBL16005619 | 0.76 | CNR2 (0.41) | CYP3A4TDP1CA12CA1CA2 |
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-20170173572-A1 | CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-06-22 | — | — | 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-20170173572-A1 | CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS | POF1B, FGFR1, COASY | CYP3A4 1057/4885TDP1 4780/4885CA12 2108/4885 |
“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.