Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | ATR | Q13535 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | STAT1 | P42224 | 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 | |
|---|---|---|---|---|
| SCHEMBL483809 | 1.00 | MAPK1 (0.59) | MAPK1CYP2A6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13170634 | 0.91 | NPC1 (0.60) | MAPK1CYP2A6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24433246 | 0.84 | CYP2A6 (0.49) | MAPK1CYP2A6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29371290 | 0.82 | NPC1 (0.71) | MAPK1NPC1RAB9ASMN1; SMN2BCHE | |
| SCHEMBL87505 | 0.82 | NPC1 (0.71) | MAPK1NPC1RAB9ASMN1; SMN2BCHE | |
| SCHEMBL23143300 | 0.81 | NPC1 (0.65) | MAPK1NPC1RAB9ASMN1; SMN2BCHE | |
| Water SCHEMBL27478798 | 0.80 | NPC1 (0.69) | MAPK1NPC1RAB9ASMN1; SMN2BCHE | |
| Water SCHEMBL5134592 | 0.80 | NPC1 (0.69) | MAPK1NPC1RAB9ASMN1; SMN2BCHE | |
| SCHEMBL4954320 | 0.80 | NPC1 (0.81) | NPC1RAB9ASMN1; SMN2BCHEHPGD | |
| SCHEMBL26627158 | 0.79 | CYP2A6 (0.44) | MAPK1CYP2A6NPC1RAB9ASMN1; 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-20220251049-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2022-08-11 | — | — | 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-20220251049-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | BRAF, NRAS, KRAS | MAPK1 35/4885CYP2A6 716/4885NPC1 4257/4885 |
“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.