Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.53 |
| ▸ | CCR4 | P51679 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31363195 | 1.00 | KMT2A (0.60) | KMT2AATMKDM4ETSHRCASP1 | |
| SCHEMBL5743956 | 1.00 | KMT2A (0.60) | KMT2AATMKDM4ETSHRCASP1 | |
| SCHEMBL30203995 | 0.96 | KMT2A (0.62) | KMT2AATMKDM4ETSHRCASP1 | |
| SCHEMBL26204985 | 0.96 | KMT2A (0.62) | KMT2AATMKDM4ETSHRCASP1 | |
| SCHEMBL16675421 | 0.96 | KMT2A (0.62) | KMT2AATMKDM4ETSHRCASP1 | |
| SCHEMBL19689618 | 0.87 | KMT2A (0.56) | KMT2AATMKDM4ETSHRCASP1 | |
| SCHEMBL30338808 | 0.87 | KMT2A (0.56) | KMT2AATMKDM4ETSHRCASP1 | |
| SCHEMBL19689619 | 0.87 | KMT2A (0.56) | KMT2AATMKDM4ETSHRCASP1 | |
| SCHEMBL16668866 | 0.87 | KMT2A (0.56) | KMT2AATMKDM4ETSHRCASP1 | |
| SCHEMBL30338518 | 0.87 | KMT2A (0.56) | KMT2AATMKDM4ETSHRCASP1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | claimed |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-19 | — | — | US | claimed |
| US-9920020-B2 | Using squaraine dyes as near infrared fluorescent sensors for protein detection | THE UNIVERSITY OF AKRON (US) | 2018-03-20 | — | — | US | disclosed |
| US-9920020-B2 | Using squaraine dyes as near infrared fluorescent sensors for protein detection | THE UNIVERSITY OF AKRON (US) | 2018-03-20 | — | — | US | disclosed |
| US-20120276642-A1 | USING SQUARAINE DYES AS NEAR INFRARED FLUORESCENT SENSORS FOR PROTEIN DETECTION | THE UNIVERSITY OF AKRON | 2012-11-01 | — | — | US | disclosed |
| US-20120276642-A1 | USING SQUARAINE DYES AS NEAR INFRARED FLUORESCENT SENSORS FOR PROTEIN DETECTION | THE UNIVERSITY OF AKRON | 2012-11-01 | — | — | US | disclosed |
| EP-1244621-B1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | HOFFMANN LA ROCHE (CH) | 2006-09-13 | — | — | EP | disclosed |
| US-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | disclosed |
| EP-1244621-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-02 | — | — | EP | disclosed |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-19 | — | — | US | disclosed |
| WO-2001047886-A1 | NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-07-05 | — | — | 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 (2 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-20120276642-A1 | USING SQUARAINE DYES AS NEAR INFRARED FLUORESCENT SENSORS FOR PROTEIN DETECTION | SPR, IK, SPAST | KMT2A 4468/4885ATM 1629/4885KDM4E 4770/4885 |
| US-20010008901-A1 | Nitrile derivatives that inhibit cathepsin K | CTSK, CTSH, CTSS | KMT2A 4729/4885ATM 1599/4885KDM4E 4654/4885 |
“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.