Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | BTK | Q06187 | 3/20 | 0.37 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4088178 | 0.85 | HCAR3 (0.36) | ALDH1A1NEU3TDP1HCAR3KDM4E | |
| SCHEMBL3973851 | 0.82 | OPRD1 (0.39) | ALDH1A1NEU3TDP1HCAR3KDM4E | |
| SCHEMBL31535248 | 0.78 | MYC (0.39) | MYC | |
| SCHEMBL31535400 | 0.74 | MYC (0.37) | ALDH1A1MYC | |
| SCHEMBL31535293 | 0.74 | SCN9A (0.39) | ALDH1A1MYCJAK3LCK | |
| SCHEMBL20587133 | 0.72 | ALDH1A1 (0.42) | ALDH1A1TDP1HCAR3 | |
| SCHEMBL31535307 | 0.70 | CA12 (0.43) | ALDH1A1GAACA12CA1CA2 | |
| SCHEMBL1757694 | 0.70 | GRM1 (0.53) | ALDH1A1NEU3TDP1KDM4EPOLB | |
| SCHEMBL31535243 | 0.69 | ALDH1A1 (0.40) | ALDH1A1TDP1KDM4EGAANR4A1 | |
| SCHEMBL642243 | 0.69 | HCAR3 (0.53) | ALDH1A1TDP1HCAR3KDM4EPOLB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101910168-B | Tropane compounds | EXELIXIS INC | 2014-07-30 | — | — | CN | disclosed |
| US-8012956-B2 | Tropane compounds | EXELIXIS, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| CN-101910168-A | Tropane compounds | EXELIXIS INC | 2010-12-08 | — | — | CN | 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 | ALDH1A1 323/4885BTK 4553/4885NEU3 1155/4885 |
“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.