Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17111109 | 0.86 | CYP1A2 (0.51) | CYP1A2MAPK1CYP2C19RAB9ASMN1; SMN2 | |
| SCHEMBL17111108 | 0.85 | CYP1A2 (0.50) | CYP1A2MAPK1CYP2C19RAB9ASMN1; SMN2 | |
| SCHEMBL13861488 | 0.81 | CYP1A2 (0.56) | CYP1A2MAPK1CYP2C19RAB9ASMN1; SMN2 | |
| SCHEMBL17111159 | 0.80 | TSHR (0.49) | CYP1A2MAPK1CYP2C19RAB9ASMN1; SMN2 | |
| SCHEMBL13860460 | 0.78 | CYP1A2 (0.53) | CYP1A2MAPK1CYP2C19RAB9ASMN1; SMN2 | |
| SCHEMBL28210813 | 0.74 | CYP1A2 (0.56) | CYP1A2MAPK1CYP2C19RAB9ASMN1; SMN2 | |
| SCHEMBL1013253 | 0.74 | CYP1A2 (0.61) | CYP1A2MAPK1CYP2C19RAB9ASMN1; SMN2 | |
| SCHEMBL18748536 | 0.73 | CHEK1 (0.48) | CYP1A2MAPK1CYP2C19RAB9ASMN1; SMN2 | |
| SCHEMBL13870781 | 0.72 | CYP1A2 (0.47) | CYP1A2MAPK1CYP2C19RAB9ASMN1; SMN2 | |
| SCHEMBL13974936 | 0.72 | CYP1A2 (0.53) | CYP1A2MAPK1CYP2C19RAB9ASMN1; 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 2 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 |
| 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 | CYP1A2 2954/4885MAPK1 179/4885CYP2C19 3783/4885 |
“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.