Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 3/20 | 0.53 |
| ▸ | DRD1 | P21728 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31036634 | 0.90 | DRD3 (0.47) | CYP1A2CYP2D6LTA4HCYP2C9CYP2C19 | |
| SCHEMBL21172037 | 0.89 | KCNH2 (0.55) | CYP1A2CYP2D6LTA4HCYP2C9CYP2C19 | |
| SCHEMBL12531323 | 0.88 | DRD1 (0.46) | CYP1A2CYP2D6LTA4HCYP2C9CYP2C19 | |
| SCHEMBL13136746 | 0.87 | TSHR (0.56) | DRD3DRD1DRD2TSHROPRM1 | |
| SCHEMBL31036611 | 0.85 | TSHR (0.46) | CYP1A2CYP2D6LTA4HCYP2C9CYP2C19 | |
| SCHEMBL24486783 | 0.83 | CHRM2 (0.56) | CYP1A2CYP2D6LTA4HCYP2C9CYP2C19 | |
| SCHEMBL4505794 | 0.83 | TSHR (0.50) | HTTTSHRCHRM2CHRM1LMNA | |
| SCHEMBL7057892 | 0.83 | AGXT (0.44) | CYP1A2CYP2D6LTA4HCYP2C9CYP2C19 | |
| SCHEMBL12198807 | 0.83 | TSHR (0.56) | CYP1A2CYP2D6LTA4HCYP2C9CYP2C19 | |
| SCHEMBL11465304 | 0.82 | TSHR (0.54) | LTA4HTSHROPRM1BCHEALDH1A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8012956-B2 | Tropane compounds | EXELIXIS, INC. (US) | 2011-09-06 | — | — | US | claimed |
| EP-2074120-B1 | TROPANE COMPOUNDS | EXELIXIS INC (US) | 2010-03-03 | — | — | EP | claimed |
| EP-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | claimed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | claimed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | claimed |
| US-8012956-B2 | Tropane compounds | EXELIXIS, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| EP-2074120-B1 | TROPANE COMPOUNDS | EXELIXIS INC (US) | 2010-03-03 | — | — | EP | disclosed |
| EP-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| US-20090163471-A1 | Tropane compounds | EXELIXIS, INC. | 2009-06-25 | — | — | US | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |
| EP-0774966-A4 | BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS | LILLY CO ELI (US) | 1998-01-07 | — | — | EP | disclosed |
| EP-0774966-A1 | BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS | ELI LILLY AND COMPANY (US) | 1997-05-28 | — | — | EP | disclosed |
| WO-1996009040-A1 | BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS | ELI LILLY AND COMPANY (US) | 1996-03-28 | — | — | 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 (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-20090163471-A1 | Tropane compounds | ADRA1B, ADRA2B, ADRB2 | CYP1A2 17/4885CYP2D6 53/4885LTA4H 649/4885 |
“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.