Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL392976 | 0.90 | AKR1B1 (0.61) | AKR1B1EGFRTSHRKDM4EMAPT | |
| SCHEMBL30311288 | 0.90 | AKR1B1 (0.61) | AKR1B1EGFRTSHRKDM4EMAPT | |
| Methane SCHEMBL9292057 | 0.88 | AKR1B1 (0.59) | AKR1B1EGFRTSHRKDM4EMAPT | |
| Phenol SCHEMBL2808100 | 0.83 | AKR1B1 (0.58) | AKR1B1EGFRTSHRKDM4EMAPT | |
| SCHEMBL1554320 | 0.78 | KDM4E (0.53) | EGFRTSHRKDM4EMAPTALDH1A1 | |
| SCHEMBL21437933 | 0.77 | PNMT (0.54) | TSHRKDM4EMAPTALDH1A1NOTUM | |
| SCHEMBL9755818 | 0.76 | NOTUM (0.51) | TSHRKDM4EMAPTALDH1A1CA12 | |
| SCHEMBL607310 | 0.76 | NPC1 (0.52) | AKR1B1TSHRKDM4EMAPTALDH1A1 | |
| SCHEMBL29852765 | 0.76 | NPC1 (0.52) | AKR1B1TSHRKDM4EMAPTALDH1A1 | |
| SCHEMBL25285645 | 0.76 | IAPP (0.51) | AKR1B1EGFRKDM4EMAPTALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6395919-B1 | Calcilytic compounds | SMITHKLINE BEECHAM CORPORATION | 2002-05-28 | — | — | US | disclosed |
| EP-1070048-A4 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-1070048-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999051569-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-14 | — | — | WO | disclosed |