Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.54 |
| ▸ | RAB9A | P51151 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2474225 | 0.85 | RAB9A (0.58) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL27682759 | 0.84 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL11687153 | 0.83 | POLB (0.43) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL17112717 | 0.83 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL27702328 | 0.83 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL1013253 | 0.83 | CYP1A2 (0.61) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL4667093 | 0.81 | RAB9A (0.43) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL15832409 | 0.81 | MAPT (0.47) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL17112766 | 0.80 | MAPT (0.55) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL6284416 | 0.77 | CYP1A2 (0.68) | NPC1RAB9ASMN1; SMN2MEN1KMT2A |
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-9914736-B2 | TrKA kinase inhibitors, compositions and methods thereof | MERCK SHARP & DOHME CORP. (US) | 2018-03-13 | — | — | US | disclosed |
| CN-106866536-A | A kind of method for preparing the amino-pyrazol of 4 halo 5 | 中国农业大学 | 2017-06-20 | — | — | CN | disclosed |
| US-20170158698-A1 | TrKA Kinase Inhibitors, Compositions and Methods Thereof | MERCK SHARP & DOHME CORP. (US) | 2017-06-08 | — | — | 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-20170158698-A1 | TrKA Kinase Inhibitors, Compositions and Methods Thereof | NGFR, NGF, NTRK2 | NPC1 1664/4885RAB9A 2490/4885SMN1; SMN2 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.