Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ELANE | P08246 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23731490 | 0.92 | CES2 (0.45) | CES2CES1ALDH1A1ALOX12HTT | |
| Thiobenzoic Acid SCHEMBL21641776 | 0.88 | CES2 (0.43) | CES2CES1ALDH1A1ALOX12HTT | |
| SCHEMBL3087539 | 0.85 | ELANE (0.42) | ALDH1A1L3MBTL1KMT2AMEN1ELANE | |
| SCHEMBL7583060 | 0.85 | ELANE (0.42) | ALDH1A1L3MBTL1KMT2AMEN1ELANE | |
| Thiobenzoic Acid SCHEMBL21641759 | 0.84 | CES2 (0.40) | CES2CES1ALDH1A1ALOX12HTT | |
| SCHEMBL8834811 | 0.81 | ELANE (0.42) | ALDH1A1CYP2C9CYP2C19L3MBTL1KMT2A | |
| SCHEMBL19943304 | 0.80 | KMT2A (0.44) | ALDH1A1ALOX12LMNAL3MBTL1KMT2A | |
| SCHEMBL26965397 | 0.80 | NPC1 (0.56) | CES2CES1ALDH1A1HTTCYP2C9 | |
| Thiobenzoic Acid SCHEMBL2253615 | 0.79 | ELANE (0.38) | ALDH1A1HTTL3MBTL1KMT2AMEN1 | |
| SCHEMBL5119190 | 0.76 | TAAR1 (0.43) | ALDH1A1HTTNPSR1CYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107722049-B | Preparation and application of novel ionic binuclear Schiff base titanium complex | 山西医科大学 | 2020-06-30 | — | — | CN | disclosed |