Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL11027465 | 0.89 | LMNA (0.50) | CYP3A4TSHRLMNAALOX12ACHE | |
| Toluene SCHEMBL22973769 | 0.89 | TSHR (0.50) | CYP3A4TSHRLMNAALOX12ACHE | |
| Toluene SCHEMBL28840552 | 0.85 | CYP3A4 (0.50) | CYP3A4TSHRLMNAALOX12ACHE | |
| Toluene SCHEMBL2054280 | 0.83 | TSHR (0.44) | CYP3A4TSHRLMNAALOX12ACHE | |
| SCHEMBL11151377 | 0.83 | CYP3A4 (0.48) | CYP3A4TSHRLMNAALOX12ACHE | |
| Toluene SCHEMBL11664182 | 0.81 | LMNA (0.42) | TSHRLMNAALOX12ACHEMAPT | |
| Toluene SCHEMBL3417699 | 0.80 | MIF (0.47) | CYP3A4TSHRLMNAALOX12ACHE | |
| SCHEMBL17961601 | 0.79 | CYP3A4 (0.45) | CYP3A4TSHRLMNATRPA1MIF | |
| Propane SCHEMBL28810205 | 0.78 | CYP3A4 (0.52) | CYP3A4TSHRLMNATRPA1MIF | |
| Ethyne SCHEMBL27938328 | 0.78 | CYP3A4 (0.50) | CYP3A4TSHRLMNATRPA1MIF |
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-4582879-A | POLYURETHANE, POLYAMIDE BLENDS, INTERPENETRATING POLYMER NETWORKS | STAMICARBON B.V.(LICENSING SUBSIDIARY OF DSM), GELEEN, THE NETHERLANDS, POST OFFICE ADDRESS: P. O. BOX 53, 6160 AB GELEEN, THE NETHERLANDS | 1986-04-15 | — | — | US | disclosed |