Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | TPMT | P51580 | 1/20 | 0.48 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ATIC | P31939 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 4/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.43 |
| ▸ | CDC25C | P30307 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL27522273 | 0.87 | HSD17B10 (0.61) | HSD17B10ALDH1A1CYP3A4HPGDTSHR | |
| SCHEMBL8000087 | 0.84 | ALDH1A1 (0.57) | HSD17B10ALDH1A1CYP3A4HPGDTSHR | |
| Benzoic Acid SCHEMBL27454196 | 0.83 | TSHR (0.65) | HSD17B10ALDH1A1CYP3A4HPGDTSHR | |
| Naphthoic Acid SCHEMBL27788340 | 0.83 | NR4A1 (0.68) | HSD17B10ALDH1A1CYP3A4HPGDTPMT | |
| SCHEMBL27982178 | 0.82 | NR4A1 (0.53) | ALDH1A1CYP3A4TPMTHCAR1CYP2C9 | |
| Naphthalene SCHEMBL27937962 | 0.81 | TPMT (0.61) | ALDH1A1TSHRTPMTHCAR1NR4A1 | |
| Naphthalene SCHEMBL27658466 | 0.81 | TPMT (0.67) | ALDH1A1TSHRTPMTHCAR1NR4A1 | |
| SCHEMBL27786322 | 0.80 | HSD17B10 (0.50) | HSD17B10ALDH1A1CYP3A4HPGDTSHR | |
| Acetic Acid SCHEMBL28299908 | 0.79 | ALDH1A1 (0.71) | HSD17B10ALDH1A1CYP3A4HPGDTSHR | |
| Acetic Acid SCHEMBL27357071 | 0.79 | ALDH1A1 (0.71) | HSD17B10ALDH1A1CYP3A4HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105136787-A | Detection reagent for mono-hydroxyphenyl metabolin urine | SHANGHAI FEI JI BIOTECHNOLOGY CO LTD | 2015-12-09 | — | — | CN | disclosed |