Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SCN1A | P35498 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.45 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL962104 | 1.00 | CYP2D6 (0.45) | CYP2D6HRH1MEN1LMNASCN1A | |
| SCHEMBL960975 | 0.99 | KMT2A (0.46) | CYP2D6HRH1MEN1LMNASCN1A | |
| SCHEMBL960974 | 0.99 | KMT2A (0.46) | CYP2D6HRH1MEN1LMNASCN1A | |
| SCHEMBL962721 | 0.96 | KMT2A (0.46) | CYP2D6HRH1MEN1LMNASCN1A | |
| SCHEMBL962720 | 0.96 | KMT2A (0.46) | CYP2D6HRH1MEN1LMNASCN1A | |
| SCHEMBL29116795 | 0.87 | KEAP1 (0.56) | CYP2D6HRH1KMT2AKEAP1NFE2L2 | |
| SCHEMBL5176133 | 0.82 | MAPT (0.42) | CYP2D6HRH1MEN1LMNASCN1A | |
| SCHEMBL958241 | 0.80 | KMT2A (0.50) | CYP2D6HRH1MEN1LMNASCN1A | |
| SCHEMBL953947 | 0.80 | KMT2A (0.50) | CYP2D6HRH1MEN1LMNASCN1A | |
| SCHEMBL4396455 | 0.80 | KMT2A (0.50) | CYP2D6HRH1MEN1LMNASCN1A |
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 | CYP2D6 554/4885HRH1 78/4885MEN1 3945/4885 |
| US-20060287369-A1 | Diarylmethyl and related compounds | ADRB2, ADRB1, ADRA2B | CYP2D6 698/4885HRH1 95/4885MEN1 3434/4885 |
| US-20110015152-A1 | DIARYLMETHYL AND RELATED COMPOUNDS | ADRB2, ADRB1, ADRA2B | CYP2D6 698/4885HRH1 95/4885MEN1 3434/4885 |
“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.