Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.69 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.57 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.57 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.57 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3070015 | 0.89 | HDAC6 (0.65) | ALDH1A1NPSR1POLBHDAC6HDAC1 | |
| SCHEMBL3061898 | 0.88 | HDAC6 (0.55) | ALDH1A1NPSR1POLBHDAC6HDAC1 | |
| SCHEMBL3051984 | 0.87 | HDAC1 (0.55) | ALDH1A1NPSR1POLBHDAC6HDAC1 | |
| SCHEMBL3069314 | 0.86 | ALDH1A1 (0.54) | ALDH1A1NPSR1POLBHDAC6HDAC1 | |
| SCHEMBL3067422 | 0.86 | ALDH1A1 (0.54) | ALDH1A1NPSR1POLBHDAC6HDAC1 | |
| SCHEMBL11141720 | 0.84 | HDAC6 (0.77) | ALDH1A1NPSR1POLBHDAC6HDAC1 | |
| SCHEMBL11142938 | 0.83 | ALDH1A1 (1.00) | ALDH1A1NPSR1POLBHDAC6HDAC1 | |
| SCHEMBL3068051 | 0.80 | CASR (0.47) | ALDH1A1NPSR1POLBHDAC6HDAC1 | |
| SCHEMBL3061877 | 0.77 | CYP1A2 (0.51) | ALDH1A1NPSR1HDAC6HDAC1HDAC3 | |
| SCHEMBL3482859 | 0.77 | ALDH1A1 (0.81) | ALDH1A1NPSR1POLBHDAC6HDAC1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100261796-A1 | Use of Novel Compounds for IBD Treatment | FERRING B.V. (NL) | 2010-10-14 | — | — | US | claimed |
| US-20100105777-A1 | AMIDE OR THIOAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PAIN | CARA THERAPEUTICS, INC. (US) | 2010-04-29 | — | — | US | claimed |
| US-7504538-B2 | Amide or thioamide derivatives and their use in the treatment of pain | CARA THERAPEUTICS, INC. (US) | 2009-03-17 | — | — | US | claimed |
| EP-1874283-A2 | USE OF NOVEL COMPOUNDS FOR IBD TREATMENT | Ferring BV (NL) | 2008-01-09 | — | — | EP | claimed |
| US-20070197653-A1 | Amide or thioamide derivatives and their use in the treatment of pain | CARA THERAPEUTICS, INC. (US) | 2007-08-23 | — | — | US | claimed |
| WO-2006116399-A2 | USE OF NOVEL COMPOUNDS FOR IBD TREATMENT | FERRING B.V. (NL) | 2006-11-02 | — | — | WO | claimed |
| EP-1675822-A2 | AMIDE OR THIOAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PAIN | Cara Therapeutics, Inc. (US) | 2006-07-05 | — | — | EP | claimed |
| WO-2005037798-A2 | AMIDE OR THIOMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PAIN | CARA THERAPEUTICS, INC (US) | 2005-04-28 | — | — | WO | claimed |
| US-20100261796-A1 | Use of Novel Compounds for IBD Treatment | FERRING B.V. (NL) | 2010-10-14 | — | — | US | disclosed |
| US-20100105777-A1 | AMIDE OR THIOAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PAIN | CARA THERAPEUTICS, INC. (US) | 2010-04-29 | — | — | US | disclosed |
| US-7504538-B2 | Amide or thioamide derivatives and their use in the treatment of pain | CARA THERAPEUTICS, INC. (US) | 2009-03-17 | — | — | US | disclosed |
| EP-1874283-A2 | USE OF NOVEL COMPOUNDS FOR IBD TREATMENT | Ferring BV (NL) | 2008-01-09 | — | — | EP | disclosed |
| US-20070197653-A1 | Amide or thioamide derivatives and their use in the treatment of pain | CARA THERAPEUTICS, INC. (US) | 2007-08-23 | — | — | US | disclosed |
| WO-2006116399-A2 | USE OF NOVEL COMPOUNDS FOR IBD TREATMENT | FERRING B.V. (NL) | 2006-11-02 | — | — | WO | disclosed |
| EP-1675822-A2 | AMIDE OR THIOAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PAIN | Cara Therapeutics, Inc. (US) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005037798-A2 | AMIDE OR THIOMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PAIN | CARA THERAPEUTICS, INC (US) | 2005-04-28 | — | — | 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 (3 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-20100261796-A1 | Use of Novel Compounds for IBD Treatment | TPMT, FABP2, SLC10A2 | ALDH1A1 276/4885NPSR1 2559/4885POLB 3529/4885 |
| US-20070197653-A1 | Amide or thioamide derivatives and their use in the treatment of pain | TRPA1, TRPV1, TST | ALDH1A1 255/4885NPSR1 408/4885POLB 4432/4885 |
| US-20100105777-A1 | AMIDE OR THIOAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PAIN | TRPA1, TRPV1, TST | ALDH1A1 255/4885NPSR1 408/4885POLB 4432/4885 |
“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.