Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.65 |
| ▸ | LMNA | P02545 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL87982 | 0.94 | ACHE (0.73) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL28398458 | 0.94 | ACHE (0.73) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL6242293 | 0.91 | ACHE (0.69) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL266608 | 0.88 | LMNA (0.65) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL8844853 | 0.88 | ACHE (0.73) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL8943621 | 0.87 | ACHE (0.85) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL3396447 | 0.87 | ACHE (0.85) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL11235816 | 0.87 | ACHE (0.85) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL4669662 | 0.87 | — | — | |
| Toluene SCHEMBL607202 | 0.85 | TSHR (0.69) | ACHELMNATSHRALOX12HPGD |
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-4956095-A | FLUIDIZED OR FIXED BED ABSORPTION POLYMER OF PROPYNESILYL POLYMER | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-09-11 | — | — | US | disclosed |