Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27696460 | 0.98 | MAPT (0.48) | MAOAMAPTRXFP1MAOBCYP1A2 | |
| SCHEMBL10537491 | 0.94 | CYP1A2 (0.47) | MAOAMAPTRXFP1MAOBCYP1A2 | |
| SCHEMBL4779153 | 0.85 | CYP2C9 (0.50) | CYP1A2CYP2C9CYP2C19CHRM3ALOX15 | |
| SCHEMBL8935412 | 0.81 | MAOA (0.52) | MAOAMAPTRXFP1MAOBCHRM3 | |
| SCHEMBL4557607 | 0.78 | L3MBTL1 (0.48) | MAOAMAPTRXFP1MAOBIGF1R | |
| SCHEMBL4775722 | 0.78 | SIGMAR1 (0.47) | CHRM3SIGMAR1SMN1; SMN2CES1 | |
| SCHEMBL11860902 | 0.78 | SIGMAR1 (0.40) | CYP1A2CYP2C9CYP2C19CHRM3SIGMAR1 | |
| SCHEMBL6471777 | 0.76 | SIGMAR1 (0.46) | CHRM3SIGMAR1CES1 | |
| SCHEMBL9782412 | 0.76 | SIGMAR1 (0.46) | CHRM3SIGMAR1CES1 | |
| SCHEMBL28187244 | 0.76 | SIGMAR1 (0.46) | CHRM3SIGMAR1CES1 |
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-5739396-A | CHIRAL COMPOUND COMPRISING CHIRAL BACKBONE TO WHICH IS BOUND TWO OR THREE METAL BINDING MOIETIES | STANFORD UNIVERSITY (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1993012260-A2 | ASYMMETRIC LIGANDS USEFUL FOR TRANSITION METAL CATALYZED BOND FORMING REACTIONS | BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) | 1993-06-24 | — | — | WO | disclosed |