Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | CPT1A | P50416 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9038042 | 0.95 | KDR (0.46) | KDRNR4A2CPT1AHTR2CLMNA | |
| SCHEMBL9037383 | 0.87 | HTR2C (0.41) | KDRHTR2CLMNAKMT2AALDH1A1 | |
| SCHEMBL9038031 | 0.86 | HTR2C (0.41) | KDRHTR2CLMNACDK4CCND1 | |
| SCHEMBL9036372 | 0.85 | HTR2C (0.41) | KDRHTR2CLMNAKMT2AALDH1A1 | |
| SCHEMBL9242994 | 0.84 | KMT2A (0.47) | KDRNR4A2CPT1AHTR2CLMNA | |
| SCHEMBL9037640 | 0.83 | KDR (0.43) | KDRKMT2AALDH1A1MTNR1AMTNR1B | |
| SCHEMBL9038237 | 0.82 | CDK4 (0.41) | KDRHTR2CLMNAKMT2AALDH1A1 | |
| SCHEMBL9690016 | 0.79 | KMT2A (0.48) | KDRNR4A2CPT1AHTR2CLMNA | |
| SCHEMBL8985813 | 0.77 | CPT1A (0.45) | KDRNR4A2CPT1AHTR2CLMNA | |
| SCHEMBL9038843 | 0.74 | LMNA (0.39) | KDRNR4A2HTR2CLMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0507861-B1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | UPJOHN CO (US) | 1996-09-11 | — | — | EP | claimed |
| WO-1991009849-A1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | THE UPJOHN COMPANY (US) | 1991-07-11 | — | — | WO | claimed |