Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTR1E | P28566 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL961019 | 0.96 | SLC6A3 (0.57) | SLC6A3CHRNB4CHRNA3TRPA1TSHR | |
| SCHEMBL959762 | 0.94 | SLC6A3 (0.58) | SLC6A3CHRNB4CHRNA3TRPA1TSHR | |
| SCHEMBL13124077 | 0.94 | SLC6A3 (0.58) | SLC6A3CHRNB4CHRNA3TRPA1TSHR | |
| SCHEMBL7355279 | 0.92 | CHRNB4 (0.53) | SLC6A3CHRNB4CHRNA3TRPA1TSHR | |
| SCHEMBL17892330 | 0.85 | SLC6A3 (0.55) | SLC6A3CHRNB4CHRNA3IDO1GAA | |
| SCHEMBL8191324 | 0.83 | CHRNB4 (0.46) | SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL493477 | 0.83 | CHRNB4 (0.46) | SLC6A3CHRNB4CHRNA3TRPA1TSHR | |
| Hydrochloric Acid SCHEMBL2586181 | 0.82 | CHRNB4 (0.45) | SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL15179030 | 0.80 | CYP3A4 (0.46) | SLC6A3CHRNB4CHRNA3TRPA1TSHR | |
| SCHEMBL8437518 | 0.78 | CHRNB4 (0.49) | CHRNB4CHRNA3TSHRL3MBTL1MEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8008278-B2 | Diarylmethyl and related compounds | THERAVANCE, INC. (US) | 2011-08-30 | — | — | US | disclosed |
| US-20110015152-A1 | DIARYLMETHYL AND RELATED COMPOUNDS | THERAVANCE, INC. (US) | 2011-01-20 | — | — | US | disclosed |
| US-7829728-B2 | Diarymethyl and related compounds | THERAVANCE, INC. (US) | 2010-11-09 | — | — | US | disclosed |
| US-20080114030-A1 | Diarymethyl and related compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-05-15 | — | — | US | disclosed |
| US-7317102-B2 | Diarylmethyl and related compounds | THERAVANCE, INC. (US) | 2008-01-08 | — | — | US | disclosed |
| US-20060287369-A1 | Diarylmethyl and related compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2006-12-21 | — | — | US | disclosed |
| EP-1615881-A2 | DIARYLMETHYL AND RELATED COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance, Inc. (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004089892-A2 | DIARYLMETHYL AND RELATED COMPOUNDS HAVING BETA2 ANDRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2004-10-21 | — | — | 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-20080114030-A1 | Diarymethyl and related compounds | ADRB2, ADRB1, ADRA2B | SLC6A3 1585/4885CHRNB4 76/4885CHRNA3 55/4885 |
| US-20060287369-A1 | Diarylmethyl and related compounds | ADRB2, ADRB1, ADRA2B | SLC6A3 1409/4885CHRNB4 77/4885CHRNA3 46/4885 |
| US-20110015152-A1 | DIARYLMETHYL AND RELATED COMPOUNDS | ADRB2, ADRB1, ADRA2B | SLC6A3 1409/4885CHRNB4 77/4885CHRNA3 46/4885 |
“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.