Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL254773 | 0.88 | CES1 (0.65) | CES1CA1CA2TDP1ALDH1A1 | |
| Methylamine SCHEMBL29169653 | 0.83 | TSHR (0.60) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL4399328 | 0.81 | ALDH1A1 (0.63) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL11527677 | 0.81 | TSHR (0.63) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL5389258 | 0.81 | MAPK1 (0.63) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL254774 | 0.81 | CES1 (0.70) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL20558901 | 0.81 | TDP1 (0.65) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL1436249 | 0.80 | CES1 (0.65) | CES1CA1CA2TDP1ALDH1A1 | |
| Methane SCHEMBL28800504 | 0.80 | CES1 (0.68) | CES1CA1CA2TDP1ALDH1A1 | |
| SCHEMBL8674798 | 0.80 | KMT2A (0.65) | CES1CA1CA2TDP1ALDH1A1 |
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-4144333-A | Monocyclic beta-lactams with antibacterial activity | SMITHKLINE CORPORATION (US) | 1979-03-13 | — | — | US | claimed |