Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | F10 | P00742 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7622448 | 0.99 | HCAR2 (0.57) | HCAR2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11303046 | 0.84 | ALDH1A1 (0.71) | ALDH1A1KMT2AMEN1MAPTGAA | |
| Bromide SCHEMBL7613349 | 0.83 | ALDH1A1 (0.69) | ALDH1A1KMT2AMEN1MAPTGAA | |
| SCHEMBL9002518 | 0.81 | F10 (0.72) | ALDH1A1KMT2AMEN1PKMF10 | |
| SCHEMBL21129671 | 0.80 | CYP1A2 (0.62) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27455560 | 0.78 | ALDH1A1 (0.52) | ALDH1A1RAB9ANPC1HDAC3HDAC1 | |
| SCHEMBL19268078 | 0.78 | KMT2A (0.54) | HCAR2ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL12730395 | 0.78 | KMT2A (0.78) | ALDH1A1KMT2AMAPTTSHRGAA | |
| SCHEMBL27457101 | 0.78 | KMT2A (0.50) | HCAR2ALDH1A1CYP1A2CYP2C19KMT2A | |
| SCHEMBL7616103 | 0.78 | NPSR1 (0.62) | HCAR2ALDH1A1CYP1A2CYP3A4CYP2C9 |
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-1145074-A | Carbamoylmethylurea derivative | SHIONOGI & CO (JP) | 1997-03-12 | — | — | CN | disclosed |