Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | FLT4 | P35916 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15845841 | 0.82 | NPC1 (0.38) | NPC1KDM4EEGFRIGF1RSRC | |
| SCHEMBL15846300 | 0.82 | CD38 (0.34) | EGFRIGF1RSRCFLT4KDR | |
| SCHEMBL15845679 | 0.81 | PTPN1 (0.32) | SMN1; SMN2ALDH1A1KDM4EF2RL3HPGD | |
| SCHEMBL15859688 | 0.79 | EGFR (0.39) | NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1 | |
| SCHEMBL17391755 | 0.79 | PTPN11 (0.37) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL15846413 | 0.79 | EIF4EBP1 (0.42) | — | |
| SCHEMBL15846199 | 0.77 | EGFR (0.36) | NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1 | |
| SCHEMBL17391750 | 0.77 | F2RL3 (0.34) | F2RL3EGFRIGF1RSRCFLT4 | |
| SCHEMBL15846275 | 0.77 | F2RL3 (0.34) | F2RL3EGFRIGF1RSRCFLT4 | |
| SCHEMBL15845858 | 0.77 | EGFR (0.35) | NPC1SMN1; SMN2ALDH1A1KDM4EHPGD |
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-9656971-B2 | COMT inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2017-05-23 | — | — | US | disclosed |
| US-20160002177-A1 | COMT INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2016-01-07 | — | — | 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-20160002177-A1 | COMT INHIBITORS | COMT, PNMT, SLC6A3 | NPC1 2621/4885RAB9A 341/4885SMN1; SMN2 865/4885 |
“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.