Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | C3AR1 | Q16581 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.32 |
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 SCHEMBL7180595 | 0.94 | ACHE (0.65) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL27595426 | 0.92 | ACHE (0.61) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL27729481 | 0.92 | ACHE (0.61) | ACHETSHRLMNAALOX12TDP1 | |
| SCHEMBL806588 | 0.89 | ACHE (0.58) | ACHETSHRLMNAALOX12TDP1 | |
| P-Xylene SCHEMBL27859158 | 0.88 | ACHE (0.53) | ACHETSHRLMNAALOX12TDP1 | |
| Pyrrole SCHEMBL28367709 | 0.79 | RAB9A (0.47) | ACHETSHRLMNAALOX12TDP1 | |
| O-Xylene SCHEMBL27859159 | 0.79 | TSHR (0.62) | ACHETSHRLMNAALOX12TDP1 | |
| SCHEMBL21322975 | 0.78 | ACHE (0.55) | ACHETSHRLMNAALOX12TDP1 | |
| SCHEMBL12344959 | 0.77 | ACHE (0.91) | ACHETSHRLMNAALOX12TDP1 | |
| Pyrrole SCHEMBL28443205 | 0.75 | ALDH1A1 (0.42) | ACHETSHRLMNAALOX12TDP1 |
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-9714237-B2 | Material for organic electroluminescent device and organic electroluminescent device using same | IDEMITSU KOSAN CO., LTD. (JP) | 2017-07-25 | — | — | US | disclosed |
| WO-2012036253-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-22 | — | — | WO | disclosed |