Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.59 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11474520 | 0.80 | CES1 (0.55) | CES1SRCMLYCDCES2TSHR | |
| SCHEMBL33083 | 0.75 | CES1 (1.00) | CES1MLYCDCES2TSHRDAO | |
| SCHEMBL7907262 | 0.75 | CES1 (0.73) | CES1SRCMLYCDCES2TSHR | |
| Benzene SCHEMBL27672585 | 0.75 | CES1 (1.00) | CES1MLYCDCES2TSHRDAO | |
| SCHEMBL27938670 | 0.74 | CES1 (0.64) | CES1SRCCES2TSHRDAO | |
| SCHEMBL1645835 | 0.74 | CES1 (0.64) | CES1SRCMLYCDCES2TSHR | |
| SCHEMBL8780870 | 0.74 | CES1 (0.64) | CES1SRCMLYCDCES2TSHR | |
| SCHEMBL11458658 | 0.73 | CES1 (0.47) | CES1SRCMLYCDCA2POLB | |
| SCHEMBL28201206 | 0.73 | CES1 (0.52) | CES1SRCMLYCDCES2TSHR | |
| SCHEMBL31083855 | 0.73 | CES1 (0.95) | CES1MLYCDCES2TSHRDAO |
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-4225619-A | BACTERICIDES, FUNGICIDES | BOEHRINGER INGELHEIM GMBH (DE) | 1980-09-30 | — | — | US | disclosed |