Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 5/20 | 0.61 |
| ▸ | RAB9A | P51151 | 5/20 | 0.61 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.55 |
| ▸ | ESRRG | P62508 | 1/20 | 0.55 |
| ▸ | MLYCD | O95822 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL2087431 | 0.87 | ALDH1A1 (0.62) | NPC1RAB9ATMEM97SIGMAR1HDAC2 | |
| Hydrochloric Acid SCHEMBL20547794 | 0.85 | ALDH1A1 (0.60) | NPC1RAB9ATMEM97SIGMAR1HDAC2 | |
| SCHEMBL30046741 | 0.85 | ALDH1A1 (0.73) | HDAC2HDAC8HDAC6ALOX5ALDH1A1 | |
| SCHEMBL8150809 | 0.84 | NPC1 (0.63) | TP53NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL1927473 | 0.83 | RAB9A (0.67) | NPC1RAB9ATMEM97SIGMAR1HDAC2 | |
| SCHEMBL10076245 | 0.83 | ALDH1A1 (0.66) | TMEM97SIGMAR1HDAC6ALOX5ALDH1A1 | |
| SCHEMBL21568052 | 0.82 | ALOX5 (0.76) | NPC1RAB9AHDAC2ALOX5ALDH1A1 | |
| SCHEMBL21568053 | 0.82 | ALOX5 (0.76) | NPC1RAB9AHDAC2HDAC8HDAC6 | |
| SCHEMBL8723680 | 0.82 | ALDH1A1 (0.57) | TMEM97SIGMAR1HDAC2HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL8446624 | 0.81 | NPC1 (0.65) | NPC1RAB9ASIGMAR1ALOX5ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019216810-A1 | NEW ANTIFUNGAL COMPOUNDS | URBAN CONSTANTIN (SE) | 2019-11-14 | — | — | WO | claimed |
| WO-2019216810-A1 | NEW ANTIFUNGAL COMPOUNDS | URBAN CONSTANTIN (SE) | 2019-11-14 | — | — | WO | disclosed |
| WO-2019216810-A1 | NEW ANTIFUNGAL COMPOUNDS | URBAN CONSTANTIN (SE) | 2019-11-14 | — | — | WO | disclosed |