Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770072 | 0.79 | PNMT (0.55) | TSHRLMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL296591 | 0.79 | TSHR (0.68) | TSHRBCHETYRACHEPOLB | |
| SCHEMBL29860994 | 0.79 | TSHR (0.68) | TSHRBCHETYRACHEPOLB | |
| SCHEMBL23202747 | 0.78 | TSHR (0.50) | TSHRBCHETYRACHEPOLB | |
| SCHEMBL9170892 | 0.78 | BCHE (0.42) | TSHRKIF11BCHETYRACHE | |
| SCHEMBL21893895 | 0.77 | GABRA1 (0.60) | TSHRKIF11TYRGABRA1GABRB2 | |
| SCHEMBL7809655 | 0.77 | TSHR (0.65) | TSHRBCHETYRACHEPOLB | |
| Ammonia Solution, Strong SCHEMBL28876892 | 0.77 | TSHR (0.65) | TSHRBCHETYRACHEPOLB | |
| SCHEMBL6317155 | 0.76 | CYP3A4 (0.38) | TSHRBCHETYRACHELMNA | |
| SCHEMBL9162952 | 0.76 | TSHR (0.48) | TSHRBCHETYRACHEPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0431756-B1 | Polyol and rigid polyurethane foam | MITSUI TOATSU CHEMICALS (JP) | 1995-04-05 | — | — | EP | disclosed |
| US-5246978-A | Thermal insulation material; epoxy resin based, phenolic resin based or aromatic amine based polyol component | MITSUI TOATSU CHEMICALS, INC. (JP) | 1993-09-21 | — | — | US | disclosed |
| EP-0431756-A2 | Polyol and rigid polyurethane foam | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-06-12 | — | — | EP | disclosed |