Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 7/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | HTT | P42858 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | GMNN | O75496 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | PIM1 | P11309 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.58 |
| ▸ | CCKBR | P32239 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6415832 | 0.85 | RAB9A (0.72) | ALDH1A1HTTRAB9ANPC1HSD17B10 | |
| SCHEMBL6230239 | 0.79 | RAB9A (0.72) | ALDH1A1HTTRAB9ANPC1HSD17B10 | |
| SCHEMBL24049604 | 0.78 | ALDH1A1 (0.48) | NAMPTALDH1A1HTTRAB9ANPC1 | |
| SCHEMBL30216788 | 0.78 | ALDH1A1 (0.48) | NAMPTALDH1A1HTTRAB9ANPC1 | |
| SCHEMBL13966172 | 0.78 | CYP11B2 (0.64) | NAMPTALDH1A1HTTNPC1LMNA | |
| SCHEMBL8812360 | 0.78 | RAB9A (0.70) | ALDH1A1HTTRAB9ANPC1HSD17B10 | |
| SCHEMBL13162689 | 0.78 | ALDH1A1 (0.70) | NAMPTALDH1A1HTTHSD17B10KDM4E | |
| Leflunomide SCHEMBL18584841 | 0.77 | RAB9A (0.84) | HTTRAB9ANPC1TP53LMNA | |
| SCHEMBL11441650 | 0.77 | RAB9A (0.72) | ALDH1A1HTTRAB9ANPC1HSD17B10 | |
| SCHEMBL20456411 | 0.77 | RAB9A (0.68) | ALDH1A1HTTRAB9ANPC1HSD17B10 |
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 5 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 |
| EP-0527736-A1 | ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS. | HOECHST AG (DE) | 1993-02-24 | — | — | EP | 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 |