Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.53 |
| ▸ | RAB9A | P51151 | 12/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.53 |
| ▸ | MEN1 | O00255 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.51 |
| ▸ | TP53 | P04637 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 3/20 | 0.51 |
| ▸ | GMNN | O75496 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28730681 | 1.00 | NPC1 (0.53) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL6483611 | 0.92 | NPC1 (0.56) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL12853993 | 0.88 | PTGS2 (0.57) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL20502170 | 0.86 | PTGS2 (0.56) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL8746410 | 0.78 | RAB9A (0.46) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL18321130 | 0.77 | PTGS2 (0.64) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL29986307 | 0.77 | PTGS2 (0.64) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL24621702 | 0.76 | RAB9A (0.50) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL30103630 | 0.76 | PTGS2 (0.62) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL24621440 | 0.75 | RAB9A (0.48) | NPC1RAB9AKMT2AMEN1ALDH1A1 |
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-114430743-A | Thyroid hormone receptor beta agonist compounds | 拓臻制药公司 | 2022-05-03 | — | — | CN | disclosed |