Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL11237487 | 0.79 | ALDH1A1 (0.48) | KMT2AALDH1A1CYP3A4HIF1AMLYCD | |
| Diloxanide SCHEMBL330136 | 0.78 | ALDH1A1 (0.50) | KMT2AALDH1A1CYP3A4HIF1AMLYCD | |
| Water SCHEMBL11237464 | 0.76 | ALDH1A1 (0.48) | KMT2AALDH1A1CYP3A4HIF1AMLYCD | |
| SCHEMBL486173 | 0.75 | SMN1; SMN2 (0.47) | KMT2AALDH1A1POLBLMNASMN1; SMN2 | |
| SCHEMBL6861323 | 0.75 | KMT2A (0.36) | KMT2AALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5404611 | 0.74 | PLAU (0.33) | KMT2AALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL2483553 | 0.74 | POLB (0.32) | KMT2AALDH1A1MLYCDCHRNB2CHRNB4 | |
| SCHEMBL2535672 | 0.71 | PGR (0.41) | KMT2AALDH1A1CYP3A4CHRNB2CHRNB4 | |
| SCHEMBL5516357 | 0.71 | KMT2A (0.38) | KMT2AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL9490747 | 0.71 | ROCK2 (0.47) | ALDH1A1CYP3A4MLYCDKDM4ELMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |