Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 6/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7215455 | 0.82 | NR4A2 (0.47) | NR4A2ITGA4ITGB1SMN1; SMN2MAOA | |
| SCHEMBL5182297 | 0.77 | HSD17B10 (0.45) | ALDH1A1NPC1RAB9A | |
| SCHEMBL3969827 | 0.76 | POLB (0.40) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10396458 | 0.74 | MRGPRX4 (0.54) | ALDH1A1NPC1NR4A2RAB9ASTING1 | |
| SCHEMBL3968516 | 0.72 | HSP90AB1 (0.46) | KDM4EALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL8425159 | 0.69 | KDM4E (0.32) | KDM4EALDH1A1 | |
| SCHEMBL5048489 | 0.69 | ALDH1A1 (0.42) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18181991 | 0.68 | NR1H4 (0.42) | KDM4EALDH1A1S1PR5S1PR3NPC1 | |
| SCHEMBL8421290 | 0.68 | FFAR1 (0.32) | KDM4EALDH1A1 | |
| SCHEMBL345323 | 0.68 | CLCN2 (0.42) | ALDH1A1 |
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 |