Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 known ✓ | Q9H244 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28063367 | 0.91 | CHRM2 (0.38) | ALDH1A1MAPTALOX15NPSR1MAPK1 | |
| SCHEMBL28063393 | 0.85 | KMT2A (0.38) | ALDH1A1MAPTALOX15NPSR1KMT2A | |
| SCHEMBL28063395 | 0.85 | ALDH1A1 (0.38) | ALDH1A1MAPTALOX15NPSR1MAPK1 | |
| SCHEMBL28063484 | 0.80 | TSHR (0.37) | MAPK1KMT2AMEN1CHRM2CHRM1 | |
| SCHEMBL28063601 | 0.77 | NPC1 (0.39) | ALDH1A1MAPTNPSR1MAPK1KMT2A | |
| SCHEMBL28063399 | 0.75 | TSHR (0.36) | ALDH1A1MAPK1KMT2AMEN1CHRM2 | |
| SCHEMBL28063602 | 0.74 | TUBB4A (0.40) | ALDH1A1MAPTNPSR1KMT2AMEN1 | |
| SCHEMBL28063528 | 0.73 | PDCD1 (0.39) | ALDH1A1KMT2AMEN1GBA1TSHR | |
| SCHEMBL28063586 | 0.72 | POLB (0.40) | ALDH1A1MAPTMAPK1KMT2AMEN1 | |
| SCHEMBL28063358 | 0.72 | SMN1; SMN2 (0.40) | ALDH1A1MAPTNPSR1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105531277-B | Pyrrolo-imidazole ring derivatives and their use in medicine | 四川海思科制药有限公司 | 2018-03-02 | — | — | CN | disclosed |
| CN-105531277-A | Pyrrolo-imidazole ring derivatives and their use in medicine | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2016-04-27 | — | — | CN | disclosed |