Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | TGM2 | P21980 | 9/20 | 0.46 |
| ▸ | F13A1 | P00488 | 5/20 | 0.46 |
| ▸ | TGM1 | P22735 | 5/20 | 0.46 |
| ▸ | TGM6 | O95932 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31680937 | 0.90 | CA12 (0.45) | CA12CA1CA2CA9TGM2 | |
| SCHEMBL15036575 | 0.82 | CA1 (0.57) | CA12CA1CA2CA9TGM2 | |
| SCHEMBL16747298 | 0.82 | CA1 (0.57) | CA12CA1CA2CA9TGM2 | |
| SCHEMBL29243230 | 0.82 | CA1 (0.53) | CA12CA1CA2CA9TGM2 | |
| SCHEMBL16747115 | 0.81 | CA1 (0.59) | CA12CA1CA2CA9TGM2 | |
| SCHEMBL10351044 | 0.81 | CA1 (0.50) | CA12CA1CA2CA9TGM2 | |
| SCHEMBL13400310 | 0.81 | STS (0.58) | — | |
| SCHEMBL18720603 | 0.81 | CA1 (0.47) | CA12CA1CA2CA9TGM2 | |
| SCHEMBL31680703 | 0.80 | CA12 (0.46) | CA12CA1CA2CA9TGM2 | |
| SCHEMBL16747185 | 0.79 | MEN1 (0.56) | CA12CA1CA2CA9TGM2 |
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-7696195-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-13 | — | — | US | disclosed |
| US-7696195-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-13 | — | — | US | disclosed |