Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 6/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27886320 | 0.83 | SMN1; SMN2 (0.59) | ALDH1A1SMN1; SMN2LMNACYP19A1KDM4E | |
| SCHEMBL27876500 | 0.82 | HTR6 (0.50) | ALDH1A1GAASMN1; SMN2LMNAKDM4E | |
| SCHEMBL1692226 | 0.81 | HTR6 (0.63) | ALDH1A1POLBSMN1; SMN2LMNAHTR6 | |
| SCHEMBL1692134 | 0.81 | KEAP1 (0.63) | ALDH1A1L3MBTL1SMN1; SMN2LMNACYP19A1 | |
| SCHEMBL10181528 | 0.81 | NR1H2 (0.45) | ALDH1A1GAA | |
| SCHEMBL12217548 | 0.81 | KAT6A (0.49) | TNNI3KALDH1A1L3MBTL1EGFRGAA | |
| SCHEMBL15592344 | 0.80 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2LMNACYP19A1HTR6 | |
| SCHEMBL23665873 | 0.79 | NPC1 (0.42) | ALDH1A1KDM4EHTR6CA2 | |
| SCHEMBL8191003 | 0.79 | CA2 (0.55) | CA2 | |
| SCHEMBL1014348 | 0.79 | HTR6 (0.55) | TNNI3KBRAFL3MBTL1EGFRGAA |
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-20170166560-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-15 | — | — | 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-20170166560-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | TNNI3K 672/4885BRAF 473/4885ALDH1A1 4184/4885 |
“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.