Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | NAMPT | P43490 | 7/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16383167 | 0.99 | NPC1 (0.60) | NPC1NAMPTRAB9ASMN1; SMN2MEN1 | |
| SCHEMBL15344336 | 0.94 | NAMPT (0.55) | NPC1NAMPTHDAC1HDAC6GHSR | |
| SCHEMBL15344287 | 0.93 | NAMPT (0.56) | NPC1NAMPTALDH1A1HDAC1HDAC6 | |
| SCHEMBL16383044 | 0.90 | NPC1 (0.65) | NPC1NAMPTRAB9ASMN1; SMN2MEN1 | |
| SCHEMBL14553326 | 0.89 | NPC1 (0.60) | NPC1NAMPTRAB9ASMN1; SMN2MEN1 | |
| SCHEMBL16383046 | 0.84 | NPC1 (0.71) | NPC1NAMPTRAB9ASMN1; SMN2MEN1 | |
| SCHEMBL16378810 | 0.84 | NAMPT (0.67) | NPC1NAMPTRAB9ASMN1; SMN2MEN1 | |
| SCHEMBL16383169 | 0.84 | NAMPT (0.60) | NPC1NAMPTRAB9ASMN1; SMN2MEN1 | |
| SCHEMBL15344288 | 0.84 | HDAC1 (0.58) | NPC1NAMPTALDH1A1CA1CA2 | |
| SCHEMBL16378811 | 0.83 | GHSR (0.53) | NPC1RAB9ASMN1; SMN2MEN1TP53 |
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-8921426-B2 | Cationic bis-urea compounds as effective antimicrobial agents | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2014-12-30 | — | — | US | disclosed |