Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 9/20 | 0.47 |
| ▸ | TLR4 | O00206 | 2/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.45 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 4/20 | 0.39 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.39 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.39 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18471235 | 0.85 | BRD4 (0.50) | BRD4TLR4TLR8TLR9TLR7 | |
| SCHEMBL15262095 | 0.82 | BRD4 (0.47) | BRD4TLR4TLR8TLR9TLR7 | |
| SCHEMBL1571625 | 0.81 | BRD4 (0.50) | BRD4TLR4TLR8TLR9TLR7 | |
| SCHEMBL18483006 | 0.79 | BRD4 (0.51) | BRD4TLR4TLR8TLR9TLR7 | |
| SCHEMBL18647162 | 0.79 | BRD4 (0.47) | BRD4TLR4TLR8TLR9TLR7 | |
| SCHEMBL25258561 | 0.77 | BRD4 (0.49) | ALDH1A1TP53CYP3A4TDP1BRD4 | |
| SCHEMBL13680661 | 0.75 | BRD4 (0.64) | ALDH1A1BRD4CREBBPBMPR1BBMPR1A | |
| SCHEMBL18518469 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL16573986 | 0.75 | BRD4 (0.50) | BRD4CREBBPBMPR1BBMPR1AACVRL1 | |
| SCHEMBL15889927 | 0.74 | BRD4 (0.50) | TSHRBRD4TLR4TLR8TLR9 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3573959-B1 | BENZYLAMINOPYRAZINYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2021-07-28 | — | — | EP | disclosed |
| EP-3573952-B1 | BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICALCOMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2021-07-14 | — | — | EP | disclosed |
| EP-3573965-B1 | INDANYLAMINOPYRAZINYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2021-06-23 | — | — | EP | disclosed |
| EP-3544958-B1 | INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2021-03-24 | — | — | EP | disclosed |
| EP-3532458-B1 | BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2021-01-20 | — | — | EP | disclosed |
| EP-3331860-B1 | INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2019-07-17 | — | — | EP | disclosed |
| WO-2018138026-A1 | INDANYLAMINOPYRAZINYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-08-02 | — | — | WO | disclosed |
| WO-2018138027-A1 | BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICALCOMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-08-02 | — | — | WO | disclosed |
| WO-2018077699-A1 | BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-05-03 | — | — | WO | disclosed |
| WO-2017025368-A1 | INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-02-16 | — | — | WO | disclosed |