Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NMT1 | P30419 | 1/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4903097 | 0.76 | ALDH1A1 (0.61) | ALDH1A1TSHRSLC6A4ALOX15L3MBTL1 | |
| SCHEMBL17485679 | 0.76 | ALDH1A1 (0.61) | ALDH1A1TSHRSLC6A4ALOX15L3MBTL1 | |
| SCHEMBL209471 | 0.76 | ALDH1A1 (0.61) | ALDH1A1TSHRSLC6A4ALOX15L3MBTL1 | |
| SCHEMBL3432550 | 0.75 | ALDH1A1 (0.60) | ALDH1A1TSHRSLC6A4ALOX15L3MBTL1 | |
| SCHEMBL3387061 | 0.75 | ALDH1A1 (0.60) | ALDH1A1TSHRSLC6A4ALOX15L3MBTL1 | |
| SCHEMBL23926185 | 0.75 | ALDH1A1 (0.52) | ALDH1A1TSHRSLC6A4ALOX15L3MBTL1 | |
| Hydrochloric Acid SCHEMBL27587923 | 0.75 | ALDH1A1 (0.60) | ALDH1A1TSHRSLC6A4ALOX15L3MBTL1 | |
| SCHEMBL3383287 | 0.75 | ALDH1A1 (0.60) | ALDH1A1TSHRSLC6A4ALOX15L3MBTL1 | |
| Hydrochloric Acid SCHEMBL30163937 | 0.75 | ALDH1A1 (0.60) | ALDH1A1TSHRSLC6A4ALOX15L3MBTL1 | |
| Piperazine SCHEMBL28106509 | 0.75 | ALDH1A1 (0.60) | ALDH1A1TSHRSLC6A4ALOX15L3MBTL1 |
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 | ALDH1A1 323/4885TSHR 172/4885SLC6A4 1285/4885 |
“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.