Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7101478 | 0.81 | NAPRT (0.46) | NAPRTCYP2C9KMT2ACYP2D6MEN1 | |
| SCHEMBL5041305 | 0.80 | SMN1; SMN2 (0.41) | CYP2C9KMT2ACYP2D6MEN1CYP2C19 | |
| SCHEMBL5041302 | 0.80 | SMN1; SMN2 (0.41) | CYP2C9KMT2ACYP2D6MEN1CYP2C19 | |
| Hydrochloric Acid SCHEMBL31297444 | 0.77 | CYP3A4 (0.41) | NAPRTCYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL13049949 | 0.77 | NAPRT (0.48) | NAPRTCYP2C9KMT2ACYP2D6MEN1 | |
| SCHEMBL390336 | 0.77 | CYP2C9 (0.64) | CYP2C9KMT2ACYP2D6MEN1CYP2C19 | |
| SCHEMBL390335 | 0.77 | CYP2C9 (0.64) | CYP2C9KMT2ACYP2D6MEN1CYP2C19 | |
| SCHEMBL5721009 | 0.77 | CYP2C9 (0.64) | CYP2C9KMT2ACYP2D6MEN1CYP2C19 | |
| SCHEMBL27764921 | 0.77 | CYP3A4 (0.47) | NAPRTCYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL24168651 | 0.76 | P2RX7 (0.44) | KMT2ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1133489-A1 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2001-09-19 | — | — | EP | disclosed |
| WO-2001023376-A1 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-04-05 | — | — | WO | disclosed |