Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8702597 | 0.91 | ALDH1A1 (0.37) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8702701 | 0.91 | ALDH1A1 (0.37) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8702660 | 0.89 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8704163 | 0.89 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8704284 | 0.84 | TRPA1 (0.47) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8698398 | 0.84 | TRPA1 (0.47) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8697581 | 0.84 | TRPA1 (0.47) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8698359 | 0.81 | ABCB1 (0.53) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8704020 | 0.81 | CA12 (0.42) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL8698464 | 0.77 | TRPA1 (0.41) | ALDH1A1KDM4EMAPTMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | claimed |
| WO-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | disclosed |