Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CDC25A | P30304 | 1/20 | 0.52 |
| ▸ | CDC25B | P30305 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6654551 | 0.91 | KDM4E (0.73) | AKR1C3KDM4ESRD5A2ALDH1A1TDP1 | |
| SCHEMBL9217336 | 0.91 | AKR1C3 (0.68) | AKR1C3KDM4EALDH1A1TDP1CSNK2A1 | |
| SCHEMBL1821621 | 0.90 | NR4A1 (0.62) | AKR1C3KDM4ESRD5A2TDP1CSNK2A1 | |
| SCHEMBL6057027 | 0.88 | AKR1C3 (0.69) | AKR1C3KDM4ESRD5A2ALDH1A1TDP1 | |
| SCHEMBL6056928 | 0.88 | AKR1C3 (0.69) | AKR1C3KDM4ESRD5A2ALDH1A1TDP1 | |
| SCHEMBL4841745 | 0.87 | NPC1 (0.58) | AKR1C3KDM4EALDH1A1TDP1LMNA | |
| SCHEMBL7772602 | 0.85 | POLB (0.70) | AKR1C3KDM4ESRD5A2ALDH1A1TDP1 | |
| SCHEMBL31627797 | 0.83 | CSNK2A1 (0.68) | AKR1C3KDM4EALDH1A1CSNK2A1POLB | |
| SCHEMBL467550 | 0.83 | CSNK2A1 (0.68) | AKR1C3KDM4EALDH1A1CSNK2A1POLB | |
| 6-Benzoyl-3-Methylbenzoic Acid SCHEMBL5309754 | 0.83 | AKR1C3 (0.68) | AKR1C3KDM4EALDH1A1CSNK2A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-4126755-A | Process for the preparation of dimethyl terephthalate | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1978-11-21 | — | — | US | claimed |
| US-4126755-A | Process for the preparation of dimethyl terephthalate | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1978-11-21 | — | — | US | disclosed |
| US-4092481-A | METHANOL, DISTILLATION | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) | 1978-05-30 | — | — | US | disclosed |