Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | PHGDH | O43175 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.36 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TERT | O14746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28582047 | 0.84 | MCL1 (0.48) | MCL1KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL13760820 | 0.73 | MCL1 (0.47) | MCL1DAOKMT2AMEN1NPC1 | |
| SCHEMBL28360338 | 0.73 | MCL1 (0.46) | MCL1DAOPHGDHKMT2AMEN1 | |
| SCHEMBL28710453 | 0.70 | ESR1 (0.37) | KMT2AMEN1NPC1RAB9AKDM4E | |
| SCHEMBL9866510 | 0.70 | MCL1 (0.51) | MCL1DAOPHGDHKMT2AMEN1 | |
| SCHEMBL6188130 | 0.70 | MCL1 (0.51) | MCL1DAOPHGDHKMT2AMEN1 | |
| SCHEMBL31606883 | 0.69 | MCL1 (0.39) | MCL1 | |
| SCHEMBL18358089 | 0.69 | MCL1 (0.50) | MCL1DAOPHGDHKMT2AMEN1 | |
| SCHEMBL9868488 | 0.68 | MCL1 (0.57) | MCL1DAOPHGDHKMT2AMEN1 | |
| SCHEMBL21807358 | 0.68 | MCL1 (0.57) | MCL1DAOPHGDHKMT2AMEN1 |
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-110669046-B | Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative | 武汉大学 | 2021-07-06 | — | — | CN | disclosed |
| CN-110669046-A | Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative | 武汉大学 | 2020-01-10 | — | — | CN | disclosed |