Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.58 |
| ▸ | MAPT | P10636 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | MEN1 | O00255 | 6/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.58 |
| ▸ | AR | P10275 | 4/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.58 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.58 |
| ▸ | TP53 | P04637 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL4650052 | 0.90 | CYP3A4 (0.68) | CYP3A4MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL4650059 | 0.90 | ATM (0.69) | CYP3A4MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL4649423 | 0.84 | KDM4E (0.77) | CYP3A4MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL1676007 | 0.80 | ALDH1A1 (0.74) | CYP3A4MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL29360924 | 0.79 | CYP1B1 (0.75) | CYP3A4MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL3819575 | 0.79 | CYP1B1 (0.75) | CYP3A4MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL27182914 | 0.79 | CYP1B1 (0.75) | CYP3A4MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL1764307 | 0.79 | MAOB (0.78) | CYP3A4MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL29738723 | 0.79 | MAOB (0.78) | CYP3A4MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL6094870 | 0.77 | CYP3A4 (0.85) | CYP3A4MAPTALDH1A1MEN1KMT2A |
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-2007115181-A9 | COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF | EASTMAN CHEM CO (US) | 2008-04-03 | — | — | WO | disclosed |
| WO-2007115181-A2 | COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF | EASTMAN CHEMICAL COMPANY (US) | 2007-10-11 | — | — | WO | disclosed |