Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 4/20 | 0.73 |
| ▸ | RAB9A | P51151 | 4/20 | 0.70 |
| ▸ | NPC1 | O15118 | 3/20 | 0.70 |
| ▸ | THRB | P10828 | 2/20 | 0.70 |
| ▸ | GMNN | O75496 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | HTR1A | P08908 | 1/20 | 0.70 |
| ▸ | PIM1 | P11309 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | MAOA | P21397 | 1/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.70 |
| ▸ | HTR2A | P28223 | 1/20 | 0.70 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.70 |
| ▸ | CCKBR | P32239 | 1/20 | 0.70 |
| ▸ | MC4R | P32245 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | THPO | P40225 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL8811748 | 0.90 | RAB9A (0.67) | DHODHRAB9ANPC1THRBGMNN | |
| SCHEMBL14396382 | 0.85 | DHODH (0.59) | DHODHRAB9ANPC1THRBGMNN | |
| SCHEMBL8812525 | 0.84 | RAB9A (0.86) | DHODHRAB9ANPC1THRBGMNN | |
| SCHEMBL8812475 | 0.84 | DHODH (0.75) | DHODHRAB9ANPC1THRBGMNN | |
| SCHEMBL7558642 | 0.84 | RAB9A (0.65) | DHODHRAB9ANPC1THRBGMNN | |
| Leflunomide SCHEMBL5057 | 0.83 | RAB9A (1.00) | DHODHRAB9ANPC1THRBGMNN | |
| Leflunomide SCHEMBL1243495 | 0.83 | RAB9A (1.00) | DHODHRAB9ANPC1THRBGMNN | |
| SCHEMBL12356679 | 0.82 | DHODH (0.82) | DHODHRAB9ANPC1THRBGMNN | |
| SCHEMBL11441650 | 0.81 | RAB9A (0.72) | DHODHRAB9ANPC1THRBGMNN | |
| SCHEMBL6230239 | 0.81 | RAB9A (0.72) | DHODHRAB9ANPC1THRBGMNN |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0527736-B1 | ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS | HOECHST AG (DE) | 1997-04-16 | — | — | EP | disclosed |
| US-5532259-A | ANTITUMOR | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-07-02 | — | — | US | disclosed |
| US-5494911-A | TREATING LEUKEMIA, SARCOMA, CARCINOMA, LYMPHOMA, SKIN CANCER | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-02-27 | — | — | US | disclosed |
| WO-1991017748-A1 | ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-11-28 | — | — | WO | disclosed |