Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.47 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | NEK2 | P51955 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16030171 | 1.00 | CYP2A6 (0.47) | CYP2A6KIF11EGFRCYP2D6SLC6A2 | |
| SCHEMBL19687730 | 0.88 | CYP2A6 (0.49) | CYP2A6KIF11EGFRALDH1A1KDM4E | |
| SCHEMBL31519330 | 0.88 | CYP2A6 (0.49) | CYP2A6KIF11EGFRALDH1A1KDM4E | |
| SCHEMBL22926278 | 0.87 | EGFR (0.38) | CYP2A6KIF11EGFRCYP2D6SLC6A2 | |
| SCHEMBL4074346 | 0.73 | CYP2A6 (0.53) | CYP2A6KIF11ALDH1A1KDM4EPTGS2 | |
| SCHEMBL19687625 | 0.73 | CYP2A6 (0.53) | CYP2A6CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL806284 | 0.73 | LOXL2 (0.49) | CYP2A6CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12777895 | 0.73 | CYP2A6 (0.52) | CYP2A6KIF11ALDH1A1KDM4EPTGS2 | |
| SCHEMBL17199962 | 0.73 | KDM4E (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL3002661 | 0.73 | CYP19A1 (0.47) | CYP2A6CYP2D6SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4444300-A2 | INHIBITORS OF MENIN-MLL INTERACTION | Bala Therapeutics, Inc. (US) | 2024-10-16 | — | — | EP | disclosed |
| WO-2023107696-A2 | INHIBITORS OF MENIN-MLL INTERACTION | BALA THERAPEUTICS, INC. (US) | 2023-06-15 | — | — | WO | disclosed |