Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 1,3-Propanediol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| 1,3-Propanediol SCHEMBL3765570 | 1.00 | — | — | |
| 1,3-Propanediol SCHEMBL4731010 | 1.00 | CA5A (0.57) | CA5ACA5BALDH1A1TDP1LMNA | |
| 1,4-Butanediol SCHEMBL1220765 | 0.93 | CA5A (0.57) | CA5ACA5BALDH1A1TDP1LMNA | |
| 1,4-Butanediol SCHEMBL9322154 | 0.93 | CA5A (0.57) | CA5ACA5BALDH1A1TDP1LMNA | |
| 1,4-Butanediol SCHEMBL167828 | 0.93 | CA5A (0.57) | CA5ACA5BALDH1A1TDP1LMNA | |
| Nitric Acid SCHEMBL25264224 | 0.90 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1LMNA | |
| Nitric Acid SCHEMBL25202723 | 0.90 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1LMNA | |
| Nitric Acid SCHEMBL9874805 | 0.90 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1LMNA | |
| Nitric Acid SCHEMBL25180692 | 0.90 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1LMNA | |
| Nitric Acid SCHEMBL25180668 | 0.90 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1LMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9920095-B2 | Agonists of guanylate cyclase useful for the treatment of gastrointestinal disorders, inflammation, cancer and other disorders | SYNERGY PHARMACEUTICALS, INC. (US) | 2018-03-20 | — | — | US | disclosed |
| US-20160200766-A1 | AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS | SOLTA MEDICAL IRELAND LIMITED (IE) | 2016-07-14 | — | — | US | disclosed |
| EP-2321341-A2 | AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL, INFLAMMATION, CANCER AND OTHER DISORDERS | Synergy Pharmaceuticals Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010009319-A2 | AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL, INFLAMMATION, CANCER AND OTHER DISORDERS | SYNERGY PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | disclosed |
| US-20090192083-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | IRONWOOD PHARMACEUTICALS, INC. | 2009-07-30 | — | — | US | disclosed |
| US-20090186834-A1 | DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS | MICROBIA, INC. (US) | 2009-07-23 | — | — | US | disclosed |
| WO-2006102674-A2 | DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS | MICROBIA, INC. (US) | 2006-09-28 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090192083-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | GRPR, GCGR, GIPR | CA5A 3958/4885CA5B 2908/4885ALDH1A1 4637/4885 |
| US-20090186834-A1 | DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS | NPC1L1, CYP46A1, NPC1 | CA5A 1082/4885CA5B 626/4885ALDH1A1 1290/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.