Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 1,5-Pentanediol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| 1,6-Hexanediol SCHEMBL10442947 | 1.00 | TDP1 (0.67) | TDP1TSHRLMNAALDH1A1HSD17B10 | |
| 1,6-Hexanediol SCHEMBL3855738 | 1.00 | TDP1 (0.67) | TDP1TSHRLMNAALDH1A1HSD17B10 | |
| 1,6-Hexanediol SCHEMBL27408868 | 1.00 | TDP1 (0.67) | TDP1TSHRLMNAALDH1A1HSD17B10 | |
| 1,5-Pentanediol SCHEMBL9343564 | 1.00 | TDP1 (0.67) | TDP1TSHRLMNAALDH1A1HSD17B10 | |
| 1,4-Butanediol SCHEMBL531424 | 0.97 | TDP1 (0.71) | TDP1TSHRLMNAALDH1A1HSD17B10 | |
| 1,4-Butanediol SCHEMBL27302584 | 0.97 | TDP1 (0.71) | TDP1TSHRLMNAALDH1A1HSD17B10 | |
| 1,4-Butanediol SCHEMBL28655257 | 0.97 | TDP1 (0.71) | TDP1TSHRLMNAALDH1A1HSD17B10 | |
| 1,6-Hexanediol SCHEMBL28117808 | 0.94 | TDP1 (0.59) | TDP1TSHRLMNAALDH1A1HSD17B10 | |
| 1,4-Butanediol SCHEMBL11103432 | 0.93 | TDP1 (0.67) | TDP1TSHRLMNAALDH1A1HSD17B10 | |
| 1,4-Butanediol SCHEMBL19856450 | 0.93 | TDP1 (0.67) | TDP1TSHRLMNAALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014195004-A1 | NERAMEXANE SALTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2014-12-11 | — | — | WO | disclosed |
| EP-0479850-A1 | PREPARATION FOR TOPICAL TREATMENT OF INFECTIONS CAUSED BY VIRUS, BACTERIA AND FUNGI. | SWANBECK GUNNAR (SE) | 1992-04-15 | — | — | EP | disclosed |
| WO-1990015597-A1 | PREPARATION FOR TOPICAL TREATMENT OF INFECTIONS CAUSED BY VIRUS, BACTERIA AND FUNGI | SWANBECK GUNNAR (SE) | 1990-12-27 | — | — | WO | disclosed |