Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.56 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.54 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11218066 | 0.89 | ALDH1A1 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C19ATM | |
| SCHEMBL20544596 | 0.88 | HDAC1 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19ATM | |
| SCHEMBL8038243 | 0.88 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19ATM | |
| SCHEMBL20545180 | 0.86 | HDAC1 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C19ATM | |
| SCHEMBL12685572 | 0.86 | HDAC1 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C19ATM | |
| SCHEMBL28198919 | 0.84 | KDM4E (0.60) | LMNAALDH1A1L3MBTL1HPGDPOLB | |
| SCHEMBL10609588 | 0.84 | HSP90AA1 (0.51) | ATMLMNAALDH1A1MTNR1AMTNR1B | |
| SCHEMBL7344673 | 0.82 | ALDH1A1 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C19ATM | |
| SCHEMBL22614919 | 0.82 | HTT (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19ATM | |
| SCHEMBL7012446 | 0.82 | HSP90AA1 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19ATM |
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-114341637-A | Immunosensor | 联邦科学工业研究组织 | 2022-04-12 | — | — | CN | disclosed |