Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.46 |
| ▸ | TNKS | O95271 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10981903 | 1.00 | CYP1A2 (0.57) | CYP1A2CYP2C9HSD17B3NPSR1MAOB | |
| SCHEMBL1556590 | 0.88 | CYP1A2 (0.76) | CYP1A2CYP2C9NPSR1MAOBALDH1A1 | |
| SCHEMBL1556592 | 0.88 | CYP1A2 (0.76) | CYP1A2CYP2C9NPSR1MAOBALDH1A1 | |
| SCHEMBL31202444 | 0.86 | MAOA (0.62) | CYP1A2CYP2C9NPSR1MAOBALDH1A1 | |
| SCHEMBL5929354 | 0.86 | HSD17B3 (0.73) | CYP1A2CYP2C9HSD17B3MAOBALDH1A1 | |
| SCHEMBL29640067 | 0.86 | HSD17B3 (0.73) | CYP1A2CYP2C9HSD17B3MAOBALDH1A1 | |
| SCHEMBL5929351 | 0.86 | HSD17B3 (0.73) | CYP1A2CYP2C9HSD17B3MAOBALDH1A1 | |
| SCHEMBL3938797 | 0.86 | NFE2L2 (0.61) | MAOBALDH1A1MAPTSMN1; SMN2MAOA | |
| SCHEMBL3938800 | 0.86 | NFE2L2 (0.61) | MAOBALDH1A1MAPTSMN1; SMN2MAOA | |
| SCHEMBL6752531 | 0.86 | MAOA (0.62) | CYP1A2CYP2C9NPSR1MAOBALDH1A1 |
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-6294593-B1 | COMBINING HOST POLYMER WITH GUEST CROSSLINIKING AGENT; EXPOSING COMBINED HOST POLYMER AND GUEST CROSSLINKING AGENT TO ELECTRIC FIELD TO POLE SECOND ORDER NONLINEAR OPTICAL COMPONENT OF POLYMER; EXPOSING TO ELECTROMAGNETIC RADIATION | UNIVERSITY OF MASSACHUSETTS LOWELL | 2001-09-25 | — | — | US | disclosed |
| US-4491665-A | QUARTERNIZATION, ESTERIFICATION | BURROUGHS WELLCOME CO. (US) | 1985-01-01 | — | — | US | disclosed |