Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 2/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | CRHBP | P24387 | 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 | |
|---|---|---|---|---|
| SCHEMBL12774939 | 0.81 | CYP3A4 (0.57) | CYP3A4TSHRPIK3CAALDH1A1HPGD | |
| Ammonia Solution, Strong SCHEMBL16600069 | 0.81 | CYP2A6 (0.42) | CYP3A4TSHRPIK3CAALDH1A1HPGD | |
| SCHEMBL16029928 | 0.74 | CYP2A6 (0.44) | CYP3A4TSHRPIK3CAALDH1A1HPGD | |
| SCHEMBL5255678 | 0.74 | CYP3A4 (0.48) | CYP3A4TSHRPIK3CAALDH1A1HPGD | |
| SCHEMBL3675004 | 0.74 | ALDH1A1 (0.45) | CYP3A4TSHRPIK3CAALDH1A1HPGD | |
| SCHEMBL3672181 | 0.74 | CYP3A4 (0.43) | CYP3A4TSHRPIK3CAALDH1A1HPGD | |
| SCHEMBL3674306 | 0.74 | CYP3A4 (0.43) | CYP3A4TSHRPIK3CAALDH1A1HPGD | |
| SCHEMBL538480 | 0.73 | CYP1A2 (0.45) | CYP3A4TSHRPIK3CAALDH1A1HPGD | |
| SCHEMBL30148931 | 0.73 | CYP1A2 (0.45) | CYP3A4TSHRPIK3CAALDH1A1HPGD | |
| SCHEMBL1834490 | 0.72 | TSHR (0.41) | CYP3A4TSHRPIK3CAALDH1A1HPGD |
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-6096144-A | TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2000-08-01 | — | — | US | disclosed |
| US-5858571-A | TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-01-12 | — | — | US | disclosed |