Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL2054280 | 0.92 | TSHR (0.44) | MIFTSHRLMNAALOX12ACHE | |
| Isothiocyanate SCHEMBL28374280 | 0.90 | MIF (0.56) | MIFTSHRLMNACYP3A4TRPA1 | |
| Toluene SCHEMBL22973769 | 0.90 | TSHR (0.50) | MIFTSHRLMNAALOX12ACHE | |
| Toluene SCHEMBL28840552 | 0.86 | CYP3A4 (0.50) | MIFTSHRLMNAALOX12ACHE | |
| SCHEMBL11151377 | 0.84 | CYP3A4 (0.48) | MIFTSHRLMNAALOX12ACHE | |
| Toluene SCHEMBL29263225 | 0.83 | CYP3A4 (0.43) | MIFTSHRLMNAALOX12ACHE | |
| SCHEMBL28893803 | 0.82 | CYP3A4 (0.48) | MIFTSHRLMNACYP3A4TRPA1 | |
| SCHEMBL28583699 | 0.82 | CYP3A4 (0.48) | MIFTSHRLMNACYP3A4TRPA1 | |
| SCHEMBL7984176 | 0.82 | CYP3A4 (0.48) | MIFTSHRLMNACYP3A4TRPA1 | |
| Toluene SCHEMBL10829701 | 0.80 | CYP3A4 (0.41) | MIFTSHRLMNAALOX12ACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8828667-B2 | Methods and compositions relating to isocyanate conjugates | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2014-09-09 | — | — | US | disclosed |
| US-20100099201-A1 | METHODS AND COMPOSITIONS RELATING TO ISOCYANATE CONJUGATES | THE GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2010-04-22 | — | — | US | disclosed |