Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.42 |
| ▸ | HTR3A | P46098 | 5/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.42 |
| ▸ | HTR3B | O95264 | 4/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2697321 | 0.81 | CYP2B6 (0.66) | CYP2B6SIGMAR1HTR3AHTR3EHTR3B | |
| SCHEMBL9202300 | 0.81 | CHRM2 (0.46) | CYP2B6SIGMAR1HTR3AHTR3EHTR3B | |
| SCHEMBL5139721 | 0.78 | OPRD1 (0.49) | CYP2B6SIGMAR1HTR3AHTR3EHTR3B | |
| SCHEMBL27513879 | 0.78 | CHRM2 (0.47) | SIGMAR1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL4125488 | 0.77 | CYP2B6 (0.40) | CYP2B6SIGMAR1HTR3AHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL11447338 | 0.76 | CHRM2 (0.43) | CYP2B6SIGMAR1HTR3AHTR3EHTR3B | |
| SCHEMBL569963 | 0.76 | SIGMAR1 (0.48) | CYP2B6SIGMAR1HTR3AHTR3EHTR3B | |
| SCHEMBL16672397 | 0.75 | SIGMAR1 (0.41) | SIGMAR1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL4125494 | 0.75 | CYP2B6 (0.41) | CYP2B6SIGMAR1HTR3AHTR3EHTR3B | |
| SCHEMBL9090858 | 0.75 | SIGMAR1 (0.47) | CYP2B6SIGMAR1HTR3AHTR3EHTR3B |
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 10 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 |
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 | CYP2B6 77/4885SIGMAR1 143/4885HTR3A 181/4885 |
“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.