Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 8/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5916381 | 0.75 | LMNA (0.44) | FFAR1MEN1ALDH1A1KMT2A | |
| SCHEMBL14461712 | 0.74 | SMN1; SMN2 (0.53) | ITGA4ITGB1SMN1; SMN2NR1H4MEN1 | |
| SCHEMBL16633436 | 0.72 | HRH3 (0.43) | MRGPRX4ALDH1A1 | |
| SCHEMBL16738660 | 0.72 | ALDH1A1 (0.48) | SMN1; SMN2MEN1ALDH1A1KMT2ANPC1 | |
| SCHEMBL7260554 | 0.71 | CYP2C9 (0.39) | SMN1; SMN2MAOAMEN1ALDH1A1KMT2A | |
| SCHEMBL1151467 | 0.71 | SMN1; SMN2 (0.49) | ITGA4ITGB1MRGPRX4SMN1; SMN2NR4A2 | |
| SCHEMBL1010252 | 0.70 | MAOB (0.70) | SMN1; SMN2NR4A2MAOAMAOBALDH1A1 | |
| SCHEMBL27261107 | 0.70 | ITGA4 (0.46) | ITGA4ITGB1SMN1; SMN2NR1H4MEN1 | |
| SCHEMBL9052921 | 0.70 | CYP2C9 (0.55) | MEN1KMT2A | |
| SCHEMBL6943255 | 0.70 | ITGA4 (0.58) | ITGA4ITGB1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6559179-B1 | Tinvention relates to the use of compounds as inhibitors of the fatty acid synthase FabH. | SMITHKLINE BEECHAM CORPORATION | 2003-05-06 | — | — | US | disclosed |