Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.43 |
| ▸ | HTT | P42858 | 8/20 | 0.43 |
| ▸ | RAB9A | P51151 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL8734785 | 0.85 | ESR2 (0.48) | ESR2ALDH1A1RAB9ANPC1KMT2A | |
| SCHEMBL8728564 | 0.80 | KMT2A (0.60) | ESR2ALDH1A1HTTRAB9ANPC1 | |
| SCHEMBL3812920 | 0.71 | KIF11 (0.44) | ALDH1A1HTTRAB9ANPC1KMT2A | |
| SCHEMBL31310651 | 0.70 | CYP2C19 (0.46) | ESR2ALDH1A1KMT2ASMN1; SMN2CYP2C19 | |
| SCHEMBL9495033 | 0.70 | CYP2C19 (0.46) | ESR2ALDH1A1KMT2ASMN1; SMN2CYP2C19 | |
| SCHEMBL991685 | 0.70 | RAB9A (0.72) | ALDH1A1HTTRAB9ANPC1KMT2A | |
| SCHEMBL11326656 | 0.70 | ALDH1A1 (0.46) | ALDH1A1HTTRAB9ANPC1KMT2A | |
| SCHEMBL1692471 | 0.70 | ALDH1A1 (0.39) | ALDH1A1HTTRAB9ANPC1KMT2A | |
| SCHEMBL7273963 | 0.70 | KMT2A (0.46) | ALDH1A1HTTRAB9ANPC1KMT2A | |
| SCHEMBL25332888 | 0.69 | CYP2C19 (0.69) | ESR2ALDH1A1HTTKMT2ALMNA |
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-0751927-A4 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INST OF TECHN (US) | 1998-07-29 | — | — | EP | disclosed |
| EP-0751927-A1 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1997-01-08 | — | — | EP | disclosed |
| WO-1995025714-A1 | SYNTHESIS OF COMPOUNDS WITH PREDETERMINED CHIRALITY | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1995-09-28 | — | — | WO | disclosed |