Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 10/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 10/20 | 0.41 |
| ▸ | USP2 | O75604 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28815787 | 0.90 | ADRB1 (0.46) | CHRNB2CHRNA4ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL541280 | 0.80 | L3MBTL1 (0.41) | USP2ALDH1A1TSHRHTR3AHTR3E | |
| SCHEMBL3606736 | 0.80 | L3MBTL1 (0.37) | CHRNB2CHRNA4USP2ALDH1A1CYP3A4 | |
| SCHEMBL2182852 | 0.79 | ADRB1 (0.59) | CHRNB2CHRNA4ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL2051022 | 0.78 | HTR3A (0.57) | CHRNB2CHRNA4USP2ALDH1A1CYP3A4 | |
| SCHEMBL160644 | 0.78 | PRMT6 (0.42) | USP2ALDH1A1TSHRTP53HSD17B10 | |
| SCHEMBL1443053 | 0.71 | LMNA (0.47) | CHRNB2CHRNA4USP2ALDH1A1CYP3A4 | |
| SCHEMBL25078445 | 0.70 | ADRB1 (0.65) | CHRNB2CHRNA4ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL20448547 | 0.70 | LMNA (0.52) | USP2ALDH1A1CYP2C19TSHRCYP1A2 | |
| SCHEMBL29005706 | 0.70 | NCF1 (0.49) | ALDH1A1HTR3A |
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-2004002430-A2 | COMBINATIONS FOR THE TREATMENT OF FUNGAL INFECTIONS | COMBINATORX INCORPORATED (US) | 2004-01-08 | — | — | WO | disclosed |