Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.78 |
| ▸ | TSHR | P16473 | 2/20 | 0.78 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.48 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.48 |
| ▸ | CHRNA6 | Q15825 | 2/20 | 0.48 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.48 |
| ▸ | FASN | P49327 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2075901 | 0.91 | ALDH1A1 (0.62) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL30929928 | 0.91 | ALDH1A1 (0.95) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL7131881 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL10559542 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL3703105 | 0.83 | ALDH1A1 (0.81) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL3703489 | 0.83 | ALDH1A1 (0.81) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL3828585 | 0.82 | ALDH1A1 (0.78) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL3695372 | 0.81 | ALDH1A1 (0.86) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL1826063 | 0.81 | ALDH1A1 (0.86) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL1309352 | 0.81 | ALDH1A1 (0.86) | ALDH1A1TSHRHSD11B1LMNAHPGD |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796294-B2 | Inhibitors of the hedgehog pathway | EXELIXIS PATENT COMPANY LLC (US) | 2014-08-05 | — | — | US | disclosed |
| US-8754092-B2 | Inhibitors of the hedgehog pathway | EXELIXIS PATENT COMPANY LLC (US) | 2014-06-17 | — | — | US | disclosed |
| CN-101679308-B | Inhibitors of the hedgehog pathway | EXELIXIS INC | 2014-05-07 | — | — | CN | disclosed |
| EP-2527330-A1 | Inhibitors of the hedgehog pathway | Exelixis, Inc. (US) | 2012-11-28 | — | — | EP | disclosed |
| US-20120245139-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS PATENT COMPANY LLC (US) | 2012-09-27 | — | — | US | disclosed |
| US-20120238570-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS PATENT COMPANY LLC (US) | 2012-09-20 | — | — | US | disclosed |
| US-8222263-B2 | Inhibitors of hedgehog pathway | EXELIXIS PATENT COMPANY LLC (US) | 2012-07-17 | — | — | US | disclosed |
| CN-101679308-A | inhibitors of the hedgehog pathway | EXELIXIS INC | 2010-03-24 | — | — | CN | disclosed |
| EP-2134695-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | Exelixis, Inc. (US) | 2009-12-23 | — | — | EP | disclosed |
| US-20090105211-A1 | INHIBITORS OF HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| WO-2008112913-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2008-09-18 | — | — | 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-20120238570-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | SHH, GLI1, SMO | ALDH1A1 1486/4885TSHR 3147/4885HSD11B1 1008/4885 |
| US-20090105211-A1 | INHIBITORS OF HEDGEHOG PATHWAY | SHH, GLI1, SMO | ALDH1A1 1523/4885TSHR 2969/4885HSD11B1 1249/4885 |
| US-20120245139-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | SHH, GLI1, SMO | ALDH1A1 1486/4885TSHR 3147/4885HSD11B1 1008/4885 |
“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.