Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 4/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Propane SCHEMBL28810205 | 0.81 | CYP3A4 (0.52) | CYP3A4TSHRGABRA1GABRB2MIF | |
| SCHEMBL18479689 | 0.80 | MIF (0.39) | TSHRMIFTRPA1TRPV1LMNA | |
| Butane SCHEMBL27642284 | 0.79 | CYP3A4 (0.50) | CYP3A4TSHRGABRA1GABRB2MIF | |
| SCHEMBL27282865 | 0.79 | CYP3A4 (0.50) | CYP3A4TSHRGABRA1GABRB2MIF | |
| Trimethylammonium SCHEMBL27447810 | 0.77 | CYP3A4 (0.46) | CYP3A4TSHRGABRA1GABRB2MIF | |
| Ethane SCHEMBL6323027 | 0.77 | CYP3A4 (0.50) | CYP3A4TSHRGABRA1GABRB2MIF | |
| SCHEMBL5925 | 0.77 | — | — | |
| SCHEMBL1332539 | 0.77 | — | — | |
| SCHEMBL245090 | 0.77 | MIF (0.55) | CYP3A4TSHRGABRA1GABRB2MIF | |
| SCHEMBL220893 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050171302-A1 | Coating composition for tendon for prestressed concrete | SHINKO WIRE CO., LTD. (JP) | 2005-08-04 | — | — | US | disclosed |