Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.64 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.64 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.64 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 4/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MGAM | O43451 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | SI | P14410 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1115503 | 0.87 | ALDH1A1 (0.66) | CYP1A2CYP1B1CYP1A1MAOBMAOA | |
| SCHEMBL9460821 | 0.80 | KDM4E (0.50) | CYP1A2CYP1B1CYP1A1MAOBMAOA | |
| SCHEMBL5723672 | 0.80 | MET (0.57) | CYP1A2CYP1B1CYP1A1MAOBMAOA | |
| SCHEMBL6331868 | 0.78 | CYP1A2 (1.00) | CYP1A2CYP1B1CYP1A1MAOBKMT2A | |
| SCHEMBL498402 | 0.78 | CYP1A2 (0.49) | CYP1A2CYP1B1CYP1A1MAOBMAOA | |
| Angelicin SCHEMBL8726499 | 0.72 | MAOA (1.00) | CYP1A2CYP1B1CYP1A1MAOBMAOA | |
| Angelicin SCHEMBL376379 | 0.72 | MAOA (1.00) | CYP1A2CYP1B1CYP1A1MAOBMAOA | |
| Angelicin SCHEMBL29468230 | 0.72 | MAOA (1.00) | CYP1A2CYP1B1CYP1A1MAOBMAOA | |
| SCHEMBL12762288 | 0.71 | KMT2A (1.00) | CYP1A2CYP1B1CYP1A1MAOBKMT2A | |
| SCHEMBL10038268 | 0.71 | CYP1B1 (0.64) | CYP1A2CYP1B1CYP1A1KMT2AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995026721-A1 | INHIBITING VASCULAR SMOOTH MUSCLE CELL PROLIFERATION | ILLUMENEX CORPORATION (US) | 1995-10-12 | — | — | WO | disclosed |
| US-5179217-A | Skin disorders | BACCICHETTI FRANCAROSA (IT) | 1993-01-12 | — | — | US | disclosed |
| US-5001147-A | Photochemotherapic method of treating psoriasis by using methylangelicin compounds | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 1991-03-19 | — | — | US | disclosed |