Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8639784 | 0.70 | KMT2A (0.52) | KMT2ANPC1RAB9AMEN1CYP2C9 | |
| SCHEMBL6673604 | 0.65 | EPHX2 (0.42) | KMT2ANPC1RAB9AMEN1MAPT | |
| SCHEMBL1393668 | 0.62 | MAPT (0.38) | KMT2AMEN1CYP2C9MAPTKDM4E | |
| SCHEMBL14649412 | 0.60 | ALDH1A1 (0.37) | KMT2ANPC1RAB9AMEN1MAPT | |
| SCHEMBL18119894 | 0.59 | KDM4E (0.38) | KMT2AMEN1MAPTGAAKDM4E | |
| SCHEMBL9847038 | 0.58 | ALDH1A1 (0.34) | MAPTALDH1A1TSHRCYP2C19CYP3A4 | |
| SCHEMBL25101408 | 0.55 | DAO (0.36) | MAPTGAAALDH1A1TSHRCYP3A4 | |
| SCHEMBL20929164 | 0.55 | SMN1; SMN2 (0.51) | KMT2AMEN1MAPTGAAKDM4E | |
| SCHEMBL2553972 | 0.54 | EPHX2 (0.46) | KMT2ANPC1RAB9AMEN1MAPT | |
| SCHEMBL10809246 | 0.54 | CYP1A2 (0.53) | KMT2ANPC1RAB9AMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5830672-A | MEASUREMENT WITH ANTIBODIES OF DIFFERENT METABOLITES OF CAFFEINE AFTER DRINKING COFFEE | MCGILL UNIVERSITY (CA) | 1998-11-03 | — | — | US | claimed |