Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LOX | P28300 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ACVR2A | P27037 | 3/20 | 0.40 |
| ▸ | TGFBR2 | P37173 | 3/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18471249 | 0.86 | S1PR1 (0.46) | CYP3A4LOXLOXL2S1PR1DYRK1A | |
| SCHEMBL16116782 | 0.83 | LOX (0.55) | LOXLOXL2S1PR1DYRK1AAAK1 | |
| SCHEMBL30626327 | 0.83 | LOX (0.55) | LOXLOXL2S1PR1DYRK1AAAK1 | |
| SCHEMBL30531646 | 0.83 | S1PR1 (0.47) | LOXLOXL2S1PR1DYRK1AAAK1 | |
| SCHEMBL15261990 | 0.83 | S1PR1 (0.47) | LOXLOXL2S1PR1DYRK1AAAK1 | |
| SCHEMBL18481804 | 0.82 | LOX (0.47) | LOXLOXL2S1PR1DYRK1AAAK1 | |
| SCHEMBL30531656 | 0.79 | LRRK2 (0.44) | LOXLOXL2S1PR1DYRK1ALRRK2 | |
| SCHEMBL15344107 | 0.79 | CNR1 (0.50) | LOXLOXL2S1PR1DYRK1ALRRK2 | |
| SCHEMBL12441340 | 0.78 | DYRK1A (0.65) | LOXLOXL2S1PR1DYRK1AAAK1 | |
| SCHEMBL13036116 | 0.78 | DYRK1A (0.55) | LOXLOXL2S1PR1DYRK1AAAK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3532458-B1 | BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2021-01-20 | — | — | EP | disclosed |
| WO-2018138027-A1 | BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICALCOMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-08-02 | — | — | WO | disclosed |
| WO-2018138028-A1 | BENZYLAMINOPYRAZINYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-08-02 | — | — | WO | disclosed |
| WO-2018138026-A1 | INDANYLAMINOPYRAZINYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-08-02 | — | — | WO | disclosed |
| WO-2018095877-A1 | INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-05-31 | — | — | WO | disclosed |
| WO-2018077699-A1 | BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-05-03 | — | — | WO | disclosed |