Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 6/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | BTK | Q06187 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 10/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CHUK | O15111 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | MEN1 | O00255 | 6/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | CDC7 | O00311 | 1/20 | 0.53 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29906389 | 0.89 | IKBKB (0.60) | IKBKBCYP1A2CYP2C9CYP3A4BTK | |
| SCHEMBL2044907 | 0.87 | IKBKB (0.77) | IKBKBCYP1A2CYP2C9CYP3A4BTK | |
| SCHEMBL3081896 | 0.86 | MAPT (0.63) | IKBKBCYP1A2CYP2C9CYP3A4BTK | |
| SCHEMBL2313705 | 0.86 | IKBKB (0.77) | IKBKBCYP1A2CYP2C9CYP3A4BTK | |
| SCHEMBL15881509 | 0.86 | MAPT (0.59) | IKBKBCYP1A2CYP2C9CYP3A4BTK | |
| SCHEMBL1144476 | 0.86 | IKBKB (0.77) | IKBKBCYP1A2CYP2C9CYP3A4BTK | |
| SCHEMBL2158576 | 0.86 | IKBKB (0.75) | IKBKBCYP1A2CYP2C9CYP3A4BTK | |
| SCHEMBL6612593 | 0.86 | IKBKB (0.76) | IKBKBCYP1A2CYP2C9CYP3A4BTK | |
| SCHEMBL4711452 | 0.85 | PTPN1 (0.64) | IKBKBCYP1A2CYP2C9CYP3A4BTK | |
| SCHEMBL5193028 | 0.83 | IKBKB (0.78) | IKBKBCYP1A2CYP2C9CYP3A4BTK |
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-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |