Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18191988 | 0.99 | TNF (0.38) | TNFCYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL18382337 | 0.96 | CYP11B1 (0.41) | TNFCYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL18382438 | 0.96 | CYP11B1 (0.41) | TNFCYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL18382339 | 0.95 | CYP11B1 (0.39) | TNFCYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL16639316 | 0.91 | TNF (0.39) | TNFCYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL18382469 | 0.90 | PIK3CA (0.38) | TNFCYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL16639300 | 0.89 | CYP19A1 (0.38) | TNFCYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL16639306 | 0.88 | CYP11B1 (0.37) | TNFCYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL18382466 | 0.88 | PTGDR2 (0.45) | CYP11B1CYP11B2CYP17A1CYP19A1PTGDR2 | |
| SCHEMBL9921115 | 0.87 | ALDH1A1 (0.39) | TNFALDH1A1MAPTKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3089232-A1 | ORGANIC LIGHT-EMITTING ELEMENT | Toray Industries, Inc. (JP) | 2016-11-02 | — | — | EP | disclosed |