Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | TAS2R31 | P59538 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | GUSB | P08236 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19736062 | 0.90 | TAS2R31 (0.54) | IDO1TAS2R31NPC1RAB9ACYP19A1 | |
| SCHEMBL19736056 | 0.85 | IDO1 (0.51) | IDO1TAS2R31NPC1RAB9ACYP19A1 | |
| SCHEMBL19736061 | 0.83 | TAS2R31 (0.54) | IDO1TAS2R31NPC1RAB9ACYP19A1 | |
| SCHEMBL4225998 | 0.82 | PTPN1 (0.47) | NPC1RAB9ACYP19A1PTGS1PTGS2 | |
| SCHEMBL782044 | 0.82 | TAS2R31 (0.74) | TAS2R31NPC1RAB9ACYP19A1PTGS1 | |
| SCHEMBL4225984 | 0.82 | TAS2R31 (0.74) | TAS2R31NPC1RAB9ACYP19A1PTGS1 | |
| SCHEMBL19033824 | 0.81 | TAS2R31 (0.51) | IDO1TAS2R31NPC1RAB9ACYP19A1 | |
| SCHEMBL16894655 | 0.77 | CYP1A1 (0.60) | TAS2R31NPC1RAB9ACYP19A1GUSB | |
| SCHEMBL4129038 | 0.77 | TAS2R31 (0.57) | TAS2R31NPC1RAB9ACYP19A1PTGS2 | |
| SCHEMBL28830796 | 0.75 | TAS2R31 (0.61) | TAS2R31CYP19A1GUSBCYP1A1CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101615222-A | A kind of Chinese prescription designing technique based on the Chinese medicine effective component group | INST OF RADIATION MEDICINE CHI | 2009-12-30 | — | — | CN | disclosed |