Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CALCRL | Q16602 | 7/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CALCA | P06881 | 2/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601534 | 0.95 | KMT2A (0.38) | KMT2ARAB9ANPC1CALCRLCYP3A4 | |
| SCHEMBL13601530 | 0.94 | KMT2A (0.44) | KMT2ARAB9ANPC1CALCRLCYP3A4 | |
| SCHEMBL13601535 | 0.94 | KMT2A (0.37) | KMT2ARAB9ANPC1CALCRLCYP3A4 | |
| SCHEMBL13601538 | 0.92 | CALCRL (0.37) | KMT2ARAB9ANPC1CALCRLCYP3A4 | |
| SCHEMBL13601541 | 0.91 | CALCRL (0.36) | KMT2ARAB9ANPC1CALCRLCYP3A4 | |
| SCHEMBL13601382 | 0.88 | CALCRL (0.37) | CALCRLCYP3A4CALCA | |
| SCHEMBL13601494 | 0.86 | CALCRL (0.38) | CALCRLCYP3A4CALCA | |
| SCHEMBL13601557 | 0.86 | CALCRL (0.35) | CALCRLCYP3A4ALDH1A1CALCASMYD3 | |
| SCHEMBL13601340 | 0.86 | CALCRL (0.36) | CALCRLCYP3A4CALCA | |
| SCHEMBL13601574 | 0.86 | CALCRL (0.35) | CALCRLCYP3A4ALDH1A1CALCASMYD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7625886-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |
| US-7625886-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |