Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13061186 | 0.79 | ACHE (0.54) | KMT2AACHENR1H4NPC1NFKB1 | |
| SCHEMBL326891 | 0.76 | NR1H4 (0.64) | ACHENR1H4NPC1NFKB1RAB9A | |
| SCHEMBL806849 | 0.75 | ACHE (0.66) | ACHEADORA2AADORA1NR1H4NPC1 | |
| SCHEMBL22630143 | 0.75 | ALDH1A1 (0.53) | KMT2AACHENR1H4NPC1NFKB1 | |
| SCHEMBL7200705 | 0.75 | ACHE (0.61) | ACHENPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL1515725 | 0.74 | SRD5A2 (0.72) | KMT2ANR1H4SRD5A2RAB9AMAPT | |
| SCHEMBL7199268 | 0.73 | MAPT (0.67) | KMT2ASRD5A2NPC1RAB9AMAPT | |
| SCHEMBL13415305 | 0.73 | ACHE (0.80) | KMT2AACHENR1H4NPC1NFKB1 | |
| SCHEMBL8428076 | 0.73 | ACHE (0.62) | KMT2AACHENR1H4NPC1NFKB1 | |
| SCHEMBL160620 | 0.72 | NPC1 (0.68) | KMT2ASRD5A2NPC1RAB9AMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6583126-B2 | Treating diabetes, obesity, and diabetes-related diseases. | MERCK EROSST CANADA & CO. | 2003-06-24 | — | — | US | disclosed |
| EP-1242432-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-09-25 | — | — | EP | disclosed |
| US-20020052344-A1 | Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) | MERCK FROSST CANADA LTD. (CA) | 2002-05-02 | — | — | US | disclosed |
| WO-2001046205-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | 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-20020052344-A1 | Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) | PTPRO, PTPRC, PPM1B | KMT2A 4008/4885ACHE 3653/4885ADORA2A 2088/4885 |
“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.