Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738180 | 0.74 | TDP1 (0.50) | TDP1ALDH1A1MAPTMCOLN3TSHR | |
| SCHEMBL2136688 | 0.74 | ALDH1A1 (0.52) | TDP1ALDH1A1MAPTMCOLN3HPGD | |
| SCHEMBL28322249 | 0.73 | TDP1 (0.43) | TDP1ALDH1A1HDAC1CYP2A6CYP2A13 | |
| SCHEMBL3043906 | 0.73 | CA12 (0.52) | MAPTMCOLN3TSHRNR1I2MEN1 | |
| Styrene SCHEMBL9615578 | 0.72 | ALDH1A1 (0.58) | TDP1ALDH1A1HDAC8CYP2A6MAPT | |
| Vinylsulfonic Acid SCHEMBL28173702 | 0.72 | TDP1 (0.74) | TDP1ALDH1A1HDAC8MAPTTSHR | |
| SCHEMBL178888 | 0.72 | CYP2A6 (0.58) | TDP1ALDH1A1CYP2A6CYP2A13MAPT | |
| SCHEMBL8864462 | 0.72 | TDP1 (0.64) | TDP1ALDH1A1CYP2A6CYP2A13MAPT | |
| Bromide SCHEMBL9615442 | 0.71 | TDP1 (0.46) | TDP1ALDH1A1MAPTMCOLN3TSHR | |
| SCHEMBL17697781 | 0.71 | ENPP2 (0.48) | MAPTMCOLN3TSHRNR1I2 |
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-5573882-A | POLAR AND NONPOLAR SEGMENTS | XEROX CORPORATION (US) | 1996-11-12 | — | — | US | disclosed |
| US-5525450-A | QUATERNARY AMMONIUM AND ACID GROUP CONTAINING POLYMER SEGMENTS IN NONPOLAR LIQUID | XEROX CORPORATION (US) | 1996-06-11 | — | — | US | disclosed |