Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3296607 | 0.77 | ALOX5 (0.42) | MAPTALDH1A1KMT2ANPSR1ALOX5 | |
| SCHEMBL517130 | 0.77 | ESR1 (0.54) | ESR1ALDH1A1LMNA | |
| Iodide SCHEMBL28780518 | 0.75 | ALOX5 (0.41) | MAPTALDH1A1KMT2ANPSR1ALOX5 | |
| SCHEMBL4001740 | 0.72 | MAPT (0.46) | MAPTTP53ALOX5CES2CES1 | |
| SCHEMBL3645137 | 0.72 | MAPT (0.46) | MAPTTP53ALOX5CES2CES1 | |
| Diethylamine SCHEMBL11221470 | 0.71 | MAPT (0.36) | ESR1MAPTALDH1A1MEN1LMNA | |
| SCHEMBL3994648 | 0.70 | ACP3 (0.48) | ESR1LMNANPSR1 | |
| SCHEMBL20241459 | 0.70 | ACP3 (0.48) | ESR1LMNANPSR1 | |
| SCHEMBL1455651 | 0.69 | — | — | |
| SCHEMBL138602 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0408191-B1 | Substituted phthalocyanines | ZENECA LTD (GB) | 1994-11-23 | — | — | EP | claimed |
| US-5189153-A | Insoluble amine salt; absorb in near infrared | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1993-02-23 | — | — | US | claimed |
| EP-0408191-A1 | Substituted phthalocyanines | ZENECA LIMITED (GB) | 1991-01-16 | — | — | EP | claimed |