Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18917701 | 0.84 | MTNR1A (0.48) | CYP2A6PLA2G4AMTNR1AMTNR1BALDH1A1 | |
| SCHEMBL2943033 | 0.83 | BRD4 (0.40) | MTNR1AMTNR1BTUBB4ATUBBTUBA3C | |
| SCHEMBL17294058 | 0.83 | CYP2A6 (0.44) | CYP2A6PLA2G4AMTNR1AMTNR1B | |
| SCHEMBL2951656 | 0.82 | DRD2 (0.40) | MTNR1AMTNR1BKDM4EPOLBALDH1A1 | |
| SCHEMBL18918073 | 0.82 | CYP2A6 (0.43) | CYP2A6PLA2G4AHDAC1HDAC8HDAC6 | |
| SCHEMBL4748489 | 0.81 | AR (0.42) | MTNR1AMTNR1BALDH1A1NPC1RAB9A | |
| SCHEMBL2945781 | 0.76 | CYP2A6 (0.55) | CYP2A6PLA2G4AHDAC1HDAC2HDAC8 | |
| SCHEMBL4160748 | 0.73 | ACKR3 (0.42) | CYP2A6PLA2G4A | |
| SCHEMBL28623782 | 0.71 | CYP2A6 (0.58) | CYP2A6PLA2G4AHDAC1HDAC2HDAC8 | |
| SCHEMBL1056190 | 0.71 | CYP2A6 (0.51) | CYP2A6PLA2G4AHDAC1HDAC2HDAC8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7754756-B2 | Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-07-13 | — | — | US | disclosed |
| CN-101296903-A | Novel indole-containing beta agonists, method for the production thereof and use thereof as medicaments | BOEHRINGER INGELHEIM INT (DE) | 2008-10-29 | — | — | CN | disclosed |
| EP-1943220-A2 | NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS | Boehringer Ingelheim International GmbH (DE) | 2008-07-16 | — | — | EP | disclosed |
| US-20070105906-A1 | Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-10 | — | — | US | disclosed |
| WO-2007048841-A2 | NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | 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-20070105906-A1 | Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions | ADRB1, ADRB3, ADRB2 | CYP2A6 447/4885PLA2G4A 1217/4885HDAC1 3127/4885 |
“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.