Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.54 |
| ▸ | MEN1 | O00255 | 7/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31032981 | 0.79 | KDM4E (0.66) | RAB9ASMN1; SMN2NPC1HTTATM | |
| SCHEMBL21639567 | 0.74 | EGFR (0.54) | KMT2AMEN1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL6263820 | 0.74 | NPC1 (0.83) | KMT2AMEN1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL8660366 | 0.74 | NPC1 (0.83) | KMT2AMEN1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL7690950 | 0.74 | PPARG (0.56) | KMT2AMEN1RAB9ANPC1HTT | |
| SCHEMBL21242859 | 0.73 | NPC1 (0.71) | KMT2AMEN1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL15444796 | 0.72 | HTT (0.55) | KMT2AMEN1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL10272284 | 0.71 | MEN1 (0.74) | KMT2AMEN1ALDH1A1HPGDKDM4E | |
| SCHEMBL15917720 | 0.71 | MEN1 (0.61) | KMT2AMEN1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL25349531 | 0.71 | MEN1 (0.65) | KMT2AMEN1SMN1; SMN2PTPN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002053544-A1 | PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES | DARWIN DISCOVERY LTD. (GB) | 2002-07-11 | — | — | WO | disclosed |