Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RBP4 | P02753 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL307624 | 0.78 | KMT2A (0.42) | POLBKMT2AMEN1HTTNPC1 | |
| SCHEMBL2595399 | 0.74 | TSHR (0.62) | ALDH1A1KMT2AMEN1HTTGLA | |
| SCHEMBL14230634 | 0.74 | MEN1 (0.35) | NPSR1CYP2D6AKR1C1ALDH1A1POLB | |
| SCHEMBL4741531 | 0.71 | NPSR1 (0.50) | NPSR1ALDH1A1POLBKMT2AMEN1 | |
| SCHEMBL6960658 | 0.69 | NPSR1 (0.48) | NPSR1CYP2D6ALDH1A1POLBKMT2A | |
| Biphenyl SCHEMBL7615813 | 0.69 | CYP2D6 (0.48) | CYP2D6AKR1C1ALDH1A1HTTNPC1 | |
| SCHEMBL16586083 | 0.67 | NPSR1 (0.46) | NPSR1CYP2D6ALDH1A1POLBKMT2A | |
| SCHEMBL1635424 | 0.67 | NPSR1 (0.46) | NPSR1ALDH1A1POLBKMT2AMEN1 | |
| SCHEMBL8396658 | 0.67 | NPSR1 (0.46) | NPSR1CYP2D6ALDH1A1POLBKMT2A | |
| SCHEMBL8396656 | 0.67 | NPSR1 (0.46) | NPSR1CYP2D6ALDH1A1POLBKMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180237378-A1 | Asymmetric Bisamidation of Malonic Ester Derivatives | SANDOZ AG (CH) | 2018-08-23 | — | — | US | disclosed |
| EP-3337786-A1 | ASYMMETRIC BISAMIDATION OF MALONIC ESTER DERIVATIVES | Sandoz AG (CH) | 2018-06-27 | — | — | EP | disclosed |
| WO-2017029362-A1 | ASYMMETRIC BISAMIDATION OF MALONIC ESTER DERIVATIVES | SANDOZ AG (CH) | 2017-02-23 | — | — | WO | disclosed |
| EP-2621481-A1 | DUAL INHIBITORS OF MET AND VEGF FOR THE TREATMENT OF CASTRATION- RESISTANT PROSTATE CANCER AND OSTEOBLASTIC BONE METASTASES | Exelixis, Inc. (US) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012044572-A1 | DUAL INHIBITORS OF MET AND VEGF FOR THE TREATMENT OF CASTRATION- RESISTANT PROSTATE CANCER AND OSTEOBLASTIC BONE METASTASES | EXELIXIS, INC. (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2011137342-A1 | CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITES | DECIPHERA PHARMACEUTICALS, LLC (US) | 2011-11-03 | — | — | 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-20180237378-A1 | Asymmetric Bisamidation of Malonic Ester Derivatives | MAL2, ALK, ME1 | NPSR1 4239/4885CYP2D6 167/4885AKR1C1 339/4885 |
“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.