Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28525562 | 0.84 | TSHR (0.45) | ALDH1A1TSHRCNR2SMN1; SMN2HPGD | |
| SCHEMBL27858938 | 0.82 | SMN1; SMN2 (0.40) | ALDH1A1TSHRCNR2SMN1; SMN2HPGD | |
| SCHEMBL29383504 | 0.80 | TLR2 (0.46) | HPGD | |
| SCHEMBL21647766 | 0.78 | TSHR (0.45) | ALDH1A1TSHRCNR2SMN1; SMN2HPGD | |
| SCHEMBL31351854 | 0.77 | LPAR1 (0.47) | KMT2A | |
| SCHEMBL27817920 | 0.77 | PPARG (0.49) | ALDH1A1TSHRCNR2SMN1; SMN2HPGD | |
| SCHEMBL27524542 | 0.74 | GRIK1 (0.39) | ALDH1A1SMN1; SMN2KMT2ACYP2C9MAPK1 | |
| SCHEMBL11323391 | 0.74 | LMNA (0.35) | ALDH1A1TSHRHPGDKMT2ACYP3A4 | |
| SCHEMBL5561236 | 0.73 | MMP13 (0.39) | ALDH1A1CNR2SMN1; SMN2HPGD | |
| SCHEMBL11110716 | 0.72 | MMP12 (0.50) | ALDH1A1TSHRSMN1; SMN2HPGDMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6642035-B2 | Synthesis of B-keto esters | THE SCRIPPS RESEARCH INSTITUTE | 2003-11-04 | — | — | US | disclosed |
| US-20020102671-A1 | Synthesis of B-keto esters | SCRIPPS RESEARCH INSTITUTE, THE | 2002-08-01 | — | — | US | disclosed |