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 | |
|---|---|---|---|---|
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.40 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.40 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.40 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.40 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 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 | |
|---|---|---|---|---|
| SCHEMBL17380238 | 0.84 | KDM4E (0.49) | KMT2AMEN1CYP2C9TSHRKDM4E | |
| SCHEMBL28063445 | 0.80 | SMN1; SMN2 (0.44) | KMT2ATSHRKDM4EALDH1A1HTT | |
| SCHEMBL28063393 | 0.77 | KMT2A (0.38) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28063395 | 0.76 | ALDH1A1 (0.38) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28063373 | 0.75 | SMN1; SMN2 (0.42) | TSHRKDM4EALDH1A1HPGDHTT | |
| SCHEMBL28063367 | 0.74 | CHRM2 (0.38) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28063404 | 0.74 | ALDH1A1 (0.36) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL28063555 | 0.72 | TSHR (0.42) | KMT2AMEN1TSHRALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL7073560 | 0.72 | KDM4E (0.44) | KMT2AMEN1CYP2C9TSHRKDM4E | |
| SCHEMBL28063591 | 0.72 | TSHR (0.41) | TSHRALDH1A1HPGDSMN1; SMN2MAPT |
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 |