Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.41 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL20079471 | 0.83 | ALDH1A1 (0.60) | ALDH1A1ALOX12TUBB1TUBB4ATUBB | |
| SCHEMBL14486846 | 0.73 | TAS1R3 (0.57) | TAS1R3TAS1R1ALDH1A1ALOX12TUBB1 | |
| SCHEMBL1739400 | 0.72 | CA1 (0.54) | TAS1R3TAS1R1ALDH1A1PPARAL3MBTL1 | |
| SCHEMBL11435411 | 0.72 | TUBB4A (0.54) | TAS1R3TAS1R1ALDH1A1TUBB1TUBB4A | |
| SCHEMBL4730730 | 0.70 | ALDH1A1 (0.57) | TAS1R3TAS1R1ALDH1A1TUBB1TUBB4A | |
| SCHEMBL10730456 | 0.70 | TAS1R3 (0.47) | TAS1R3TAS1R1ALDH1A1ALOX12TUBB1 | |
| SCHEMBL312132 | 0.70 | TPMT (0.55) | TAS1R3TAS1R1ALDH1A1KDM4EKMT2A | |
| SCHEMBL2796551 | 0.70 | LMNA (0.52) | TAS1R3TAS1R1ALDH1A1TUBB1TUBB4A | |
| SCHEMBL1003340 | 0.69 | ALDH1A1 (0.57) | TAS1R3TAS1R1ALDH1A1ALOX12TUBB1 | |
| Hydrochloric Acid SCHEMBL11851061 | 0.69 | TPMT (0.53) | TAS1R3TAS1R1ALDH1A1KDM4EKMT2A |
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-9951058-B2 | Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient | KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) | 2018-04-24 | — | — | US | disclosed |
| US-9790197-B2 | Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient | KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) | 2017-10-17 | — | — | US | disclosed |