Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12368426 | 0.82 | ALDH1A1 (0.65) | NAMPTALDH1A1NFKB1KCNH2SMN1; SMN2 | |
| SCHEMBL5909057 | 0.81 | CA12 (0.58) | ALDH1A1NPC1RAB9APOLBCA12 | |
| SCHEMBL22335189 | 0.79 | KMT2A (0.56) | NAMPTALDH1A1NFKB1KCNH2NPC1 | |
| SCHEMBL14444031 | 0.79 | MEN1 (0.50) | NAMPTALDH1A1NFKB1KCNH2NPC1 | |
| SCHEMBL23786259 | 0.79 | LMNA (0.50) | NPC1RAB9ASMN1; SMN2POLBNR1H4 | |
| SCHEMBL10294118 | 0.79 | CA12 (0.46) | NAMPTALDH1A1NFKB1KCNH2NPC1 | |
| SCHEMBL13753745 | 0.78 | HDAC3 (0.55) | NAMPTALDH1A1NFKB1KCNH2NPC1 | |
| SCHEMBL10261106 | 0.78 | CA12 (0.49) | NAMPTALDH1A1NFKB1KCNH2NPC1 | |
| SCHEMBL20086467 | 0.78 | NPSR1 (0.58) | ALDH1A1RAB9ASMN1; SMN2POLBCYP3A4 | |
| SCHEMBL10755434 | 0.78 | SMN1; SMN2 (0.63) | ALDH1A1NFKB1KCNH2SMN1; SMN2POLB |
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-7247701-B2 | Prepared by a one-step, three-component reaction of a glyoxamide, an amine, and an organoboron derivative; also solid phase synthesis; forming peptides for a combinatorial library | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2007-07-24 | — | — | US | disclosed |