Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pentane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 6/20 | 0.45 |
| ▸ | CES2 | O00748 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Pentane SCHEMBL7754125 | 1.00 | — | — | |
| Pentane SCHEMBL10905090 | 0.97 | ALDH1A1 (0.52) | ALDH1A1CA5ACA5BTSHRLMNA | |
| Hexane SCHEMBL27687689 | 0.93 | ALDH1A1 (0.57) | ALDH1A1CA5ACA5BTSHRLMNA | |
| Hexane SCHEMBL10491880 | 0.93 | ALDH1A1 (0.57) | ALDH1A1CA5ACA5BTSHRLMNA | |
| Nonane SCHEMBL27883833 | 0.90 | ALDH1A1 (0.62) | ALDH1A1CA5ACA5BTSHRLMNA | |
| Nitric Acid SCHEMBL27389558 | 0.90 | ALDH1A1 (0.62) | ALDH1A1CA5ACA5BTSHRLMNA | |
| Hexadecane SCHEMBL380459 | 0.90 | ALDH1A1 (0.62) | ALDH1A1CA5ACA5BTSHRLMNA | |
| Octane SCHEMBL8954452 | 0.90 | ALDH1A1 (0.62) | ALDH1A1CA5ACA5BTSHRLMNA | |
| Heptane SCHEMBL27401561 | 0.90 | ALDH1A1 (0.62) | ALDH1A1CA5ACA5BTSHRLMNA | |
| Dodecane SCHEMBL29645029 | 0.90 | ALDH1A1 (0.62) | ALDH1A1CA5ACA5BTSHRLMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1079823-A1 | COMPOSITIONS COMPRISING ORGANIC MONO- OR DINITRATE FOR TREATING IMPOTENCE | BAKER NORTON PHARMACEUTICALS, INC. (US) | 2001-03-07 | — | — | EP | claimed |
| WO-1999059575-A1 | COMPOSITIONS COMPRISING ORGANIC MONO- OR DINITRATE FOR TREATING IMPOTENCE | BAKER NORTON PHARMACEUTICALS, INC. (US) | 1999-11-25 | — | — | WO | claimed |
| EP-2274279-B1 | NITRIC OXIDE DONATING PROSTAMIDES | NICOX SA (FR) | 2013-07-31 | — | — | EP | disclosed |
| US-8101658-B2 | Nitric oxide donating prostamides | NICOX S.A. (FR) | 2012-01-24 | — | — | US | disclosed |
| US-20110092590-A1 | NITRIC OXIDE DONATING PROSTAMIDES | NICOX S.A. (FR) | 2011-04-21 | — | — | US | disclosed |
| EP-2274279-A1 | NITRIC OXIDE DONATING PROSTAMIDES | Nicox S.A. (FR) | 2011-01-19 | — | — | EP | disclosed |
| WO-2009136281-A1 | NITRIC OXIDE DONATING PROSTAMIDES | NICOX S.A. (FR) | 2009-11-12 | — | — | WO | disclosed |
| CN-1243723-C | N-phenylpropylcyclopentyl substituted glutaramide derivatives as NEP inhibitors of FSAD | PFIZER LTD (US) | 2006-03-01 | — | — | CN | disclosed |
| CN-1492852-A | N-phenylpropylcyclopentyl substituted glutaramide derivatives as NEP inhibitors of FSAD | ������ҩ������˾ | 2004-04-28 | — | — | CN | 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 (1 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-20110092590-A1 | NITRIC OXIDE DONATING PROSTAMIDES | PTGIS, PTGIR, NOS2 | ALDH1A1 936/4885CA5A 443/4885CA5B 588/4885 |
“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.