Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CCR2 | P41597 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11949279 | 0.99 | SMYD3 (0.57) | SMYD3POLBHTTEPHX2NPSR1 | |
| SCHEMBL9849508 | 0.84 | SMYD3 (0.75) | SMYD3POLBHTTEPHX2NPSR1 | |
| SCHEMBL11950268 | 0.82 | NPC1 (0.55) | POLBEPHX2NPC1RAB9AEPHX1 | |
| SCHEMBL9849509 | 0.80 | SMYD3 (0.77) | SMYD3POLBHTTEPHX2NPSR1 | |
| SCHEMBL20792281 | 0.78 | CNR1 (0.60) | NPC1RAB9ACNR1MEN1KMT2A | |
| SCHEMBL27687322 | 0.78 | CNR1 (0.60) | NPC1RAB9ACNR1MEN1KMT2A | |
| SCHEMBL14241862 | 0.76 | MTNR1A (0.62) | POLBCNR1ALDH1A1MEN1KMT2A | |
| SCHEMBL19403914 | 0.76 | CNR1 (0.71) | EPHX1CNR1MEN1KMT2ATAAR1 | |
| SCHEMBL7187522 | 0.76 | SIGMAR1 (0.70) | SIGMAR1ALDH1A1 | |
| SCHEMBL4536310 | 0.75 | CNR1 (0.62) | CNR1MEN1KMT2ATAAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012100073-A1 | SELECTIVE CALCIUM CHANNEL ANTAGONISTS | NORTHWESTERN UNIVERSITY (US) | 2012-07-26 | — | — | WO | disclosed |