Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | ACACB | O00763 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | KYNU | Q16719 | 1/20 | 0.46 |
| ▸ | CALCA | P06881 | 3/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31628221 | 1.00 | ALDH1A1 (0.49) | ALDH1A1ALOX15ACACBCTSLCTSB | |
| SCHEMBL178752 | 1.00 | ALDH1A1 (0.49) | ALDH1A1ALOX15ACACBCTSLCTSB | |
| SCHEMBL13030965 | 0.93 | CTSL (0.47) | ALDH1A1ALOX15ACACBCTSLCTSB | |
| SCHEMBL30799347 | 0.93 | CTSL (0.47) | ALDH1A1ALOX15ACACBCTSLCTSB | |
| SCHEMBL29182147 | 0.93 | CTSL (0.47) | ALDH1A1ALOX15ACACBCTSLCTSB | |
| SCHEMBL31180141 | 0.88 | CALCA (0.46) | CALCA | |
| SCHEMBL31180191 | 0.88 | CALCA (0.46) | CALCA | |
| SCHEMBL4500163 | 0.86 | CTSL (0.50) | CTSLCTSBCTSSCTSKMAPT | |
| SCHEMBL4508424 | 0.85 | CALCRL (0.44) | ACACBCTSLCTSBCTSSCALCA | |
| SCHEMBL137686 | 0.85 | ACACB (0.48) | ACACBCALCA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3863629-A1 | PRODRUGS OF CGRP ANTAGONISTS | Biohaven Pharmaceutical Holding Company Ltd. (US) | 2021-08-18 | — | — | EP | disclosed |
| WO-2021127070-A1 | INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS | BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) | 2021-06-24 | — | — | WO | disclosed |