Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22041201 | 0.91 | HTR3E (0.44) | CES2CES1CYP2D6HIF1ANPC1 | |
| SCHEMBL6255440 | 0.89 | ESR1 (0.46) | CES2CES1MEN1KMT2AESR1 | |
| SCHEMBL3149795 | 0.89 | ESR1 (0.46) | CES2CES1MEN1KMT2AESR1 | |
| SCHEMBL12646044 | 0.87 | CES2 (0.60) | CES2CES1CYP2D6HIF1ANPC1 | |
| Hydrochloric Acid SCHEMBL7317199 | 0.87 | BLM (0.48) | CES2CES1MEN1KMT2AESR1 | |
| Hydrochloric Acid SCHEMBL7317191 | 0.87 | BLM (0.48) | CES2CES1MEN1KMT2AESR1 | |
| SCHEMBL23583974 | 0.81 | CES2 (0.54) | CES2CES1CYP2D6HIF1ANPC1 | |
| SCHEMBL21215215 | 0.78 | ESR1 (0.69) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL12646125 | 0.77 | WDR5 (0.54) | CES2CES1CYP2D6HIF1ANPC1 | |
| SCHEMBL18721264 | 0.74 | PTGS1 (0.43) | CES2CES1MEN1KMT2AESR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-1038083-A | — | — | None | — | — | JP | disclosed |
| EP-0651024-B1 | Method of producing polymethine dyes | MINNESOTA MINING & MFG (US) | 1996-08-14 | — | — | EP | disclosed |
| EP-0651024-A1 | Method of producing polymethine dyes | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-05-03 | — | — | EP | disclosed |
| US-5386058-A | Method of producing polymethine dyes | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-01-31 | — | — | US | disclosed |
| JP-S6438083-A | COLORING PHTHALIDE COMPOUND AND HEAT-SENSITIVE RECORDING MATERIAL USING SAID COMPOUND | RICOH KK | 1989-02-08 | — | — | JP | disclosed |