Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.39 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.39 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.39 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.39 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28941019 | 0.87 | PRKCI (0.50) | CYP2A6MEN1KMT2AMTNR1AMTNR1B | |
| SCHEMBL20072247 | 0.85 | CYP2A6 (0.47) | CYP2A6MTNR1AMTNR1BMAOAMAOB | |
| SCHEMBL4255274 | 0.83 | MTNR1A (0.49) | CYP2A6MTNR1AMTNR1BMAOAMAOB | |
| SCHEMBL27741946 | 0.81 | MTNR1A (0.46) | CYP2A6KMT2AMTNR1AMTNR1BMAOA | |
| SCHEMBL23841171 | 0.81 | ELANE (0.53) | CYP2A6KMT2AKDM4E | |
| SCHEMBL29275172 | 0.79 | MTNR1A (0.49) | MTNR1AMTNR1BMAOAMAOBMCL1 | |
| SCHEMBL12605658 | 0.78 | BRD4 (0.51) | CYP2A6KMT2AMTNR1AMTNR1BPRKCI | |
| SCHEMBL15322281 | 0.77 | MAOA (0.52) | MAOAMAOB | |
| SCHEMBL25007231 | 0.76 | MTNR1A (0.41) | CYP2A6MTNR1AMTNR1BMAOAMAOB | |
| SCHEMBL1093766 | 0.75 | HTR2A (0.57) | CYP2A6MEN1KMT2AMTNR1AMTNR1B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023226964-A1 | HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF | DANATLAS PHARMACEUTICALS CO., LTD. (CN) | 2023-11-30 | — | — | WO | disclosed |