Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.57 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL145507 | 0.94 | ALDH1A1 (0.64) | KDM4EHSD17B10ALDH1A1HPGDENPP2 | |
| SCHEMBL30201504 | 0.94 | ALDH1A1 (0.64) | KDM4EHSD17B10ALDH1A1HPGDENPP2 | |
| SCHEMBL29983717 | 0.93 | ALDH1A1 (0.53) | KDM4EHSD17B10ALDH1A1HPGDENPP2 | |
| Hydrochloric Acid SCHEMBL28263913 | 0.92 | ALDH1A1 (0.62) | KDM4EHSD17B10ALDH1A1HPGDENPP2 | |
| Acetic Acid SCHEMBL28248344 | 0.89 | ALDH1A1 (0.63) | KDM4EHSD17B10ALDH1A1HPGDENPP2 | |
| SCHEMBL7409871 | 0.83 | ALDH1A1 (0.58) | KDM4EHSD17B10ALDH1A1HPGDENPP2 | |
| SCHEMBL103794 | 0.81 | TUBB4A (0.58) | TAS1R3TAS1R1CDK8NPC1 | |
| SCHEMBL29377304 | 0.81 | TUBB4A (0.58) | TAS1R3TAS1R1CDK8NPC1 | |
| SCHEMBL28109570 | 0.80 | KDM4E (0.55) | KDM4EHSD17B10ALDH1A1HPGDENPP2 | |
| Ammonia Solution, Strong SCHEMBL28339305 | 0.80 | TUBB4A (0.57) | TAS1R3TAS1R1CDK8NPC1 |
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-108718526-B | Crystal modification of nintedanib salt and process for producing the same | 赞蒂瓦有限合伙公司（CZ） | 2023-01-13 | — | — | CN | disclosed |
| CN-108718526-A | The crystalline modification and preparation method of (3Z) -3- { [(4- { methyl [(4- methylpiperazine-1-yls) acetyl group] amino } phenyl) amino] (phenyl) methylene } -2- oxo -2,3- dihydro -1H- methyl indole-6-carboxylate salt | 赞蒂瓦有限合伙公司 | 2018-10-30 | — | — | CN | disclosed |