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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | BLM | P54132 | 2/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | MPO | P05164 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | PTPRA | P18433 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | TNF | P01375 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11605236 | 1.00 | KMT2A (0.59) | KMT2AKDM4ELMNAMAPTTSHR | |
| SCHEMBL11607294 | 1.00 | KMT2A (0.59) | KMT2AKDM4ELMNAMAPTTSHR | |
| SCHEMBL11602580 | 0.89 | PTPRA (0.58) | KMT2AKDM4ELMNAMAPTTSHR | |
| SCHEMBL11602575 | 0.89 | PTPRA (0.58) | KMT2AKDM4ELMNAMAPTTSHR | |
| SCHEMBL11604913 | 0.89 | PTPRA (0.58) | KMT2AKDM4ELMNAMAPTTSHR | |
| SCHEMBL18029175 | 0.89 | KMT2A (0.66) | KMT2AKDM4ELMNAMAPTTSHR | |
| SCHEMBL456668 | 0.89 | KMT2A (0.66) | KMT2AKDM4ELMNAMAPTTSHR | |
| SCHEMBL30381542 | 0.89 | KMT2A (0.66) | KMT2AKDM4ELMNAMAPTTSHR | |
| SCHEMBL29405769 | 0.89 | KMT2A (0.66) | KMT2AKDM4ELMNAMAPTTSHR | |
| SCHEMBL623336 | 0.89 | KMT2A (0.66) | KMT2AKDM4ELMNAMAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4072691-A | Process for the resolution of DL-6-chlorotryptophan | TANABE SEIYAKU CO., LTD. (JA) | 1978-02-07 | — | — | US | disclosed |
| US-4072691-A | Process for the resolution of DL-6-chlorotryptophan | TANABE SEIYAKU CO., LTD. (JA) | 1978-02-07 | — | — | US | disclosed |