Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29184911 | 0.80 | TSHR (0.43) | TSHRCYP19A1MAPTKMT2AMEN1 | |
| SCHEMBL29184926 | 0.79 | AOC3 (0.42) | MAPTLMNAHTTTDP1ALDH1A1 | |
| SCHEMBL29184899 | 0.79 | CYP2C19 (0.39) | TSHRKMT2AMEN1LMNACYP2D6 | |
| SCHEMBL29184892 | 0.77 | CYP2C9 (0.44) | TSHRRAB9ALMNACYP2C9HTT | |
| SCHEMBL8782519 | 0.74 | TSHR (0.44) | TSHRCYP19A1NPC1RAB9AMAPT | |
| SCHEMBL15763664 | 0.72 | TSHR (0.48) | TSHRCYP19A1NPC1RAB9AMAPT | |
| SCHEMBL15947062 | 0.72 | KMT2A (0.36) | TSHRCYP19A1NPC1RAB9AMAPT | |
| SCHEMBL6871487 | 0.72 | TSHR (0.46) | TSHRCYP19A1NPC1RAB9AMAPT | |
| SCHEMBL12765048 | 0.70 | TSHR (0.50) | TSHRCYP19A1NPC1RAB9AMAPT | |
| SCHEMBL14934282 | 0.70 | TSHR (0.50) | TSHRCYP19A1NPC1RAB9AMAPT |
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-117603436-A | Polymer, modified polyurethane elastomer and preparation method thereof | 北京大学 | 2024-02-27 | — | — | CN | disclosed |