Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD2 | O60906 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHAT | P28329 | 3/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2100554 | 0.81 | RXRA (0.41) | SMPD2ALDH1A1LMNACHATMTNR1A | |
| SCHEMBL3243723 | 0.80 | ALDH1A1 (0.45) | SMPD2ALDH1A1F2LMNACHAT | |
| SCHEMBL6709427 | 0.77 | ALDH1A1 (0.50) | SMPD2ALDH1A1F2LMNACHAT | |
| Isopropylbenzene SCHEMBL27801600 | 0.75 | ALDH1A1 (0.42) | SMPD2ALDH1A1F2LMNACHAT | |
| SCHEMBL8729446 | 0.75 | ALDH1A1 (0.45) | ALDH1A1LMNAKDM4E | |
| SCHEMBL4819774 | 0.74 | SMPD2 (0.42) | SMPD2ALDH1A1F2LMNACHAT | |
| SCHEMBL9859576 | 0.74 | SMPD2 (0.43) | SMPD2ALDH1A1F2LMNACHAT | |
| SCHEMBL8325158 | 0.74 | TAAR1 (0.44) | SMPD2ALDH1A1F2LMNASLC6A4 | |
| SCHEMBL6027641 | 0.73 | SMPD2 (0.41) | SMPD2ALDH1A1F2LMNACHAT | |
| SCHEMBL27813589 | 0.73 | SMPD2 (0.44) | SMPD2ALDH1A1F2LMNACHAT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0739903-B1 | CARBAMOYLMETHYLUREA DERIVATIVE | SHIONOGI & CO (JP) | 2002-01-23 | — | — | EP | disclosed |
| US-5739162-A | ANTAGONIST FOR GASTRIN AND/OR CHOLECYSTOKININ B-NOT A-RECEPTORS; SIDE EFFECT REDUCTION; ANTIULCER AGENTS; OPIOD-ENHANCING ANALGESICS; GASTROINTESTINAL DISORDERS; ANXIOLYTIC AGENTS | SHIONOGI & CO., LTD. (JP) | 1998-04-14 | — | — | US | disclosed |
| EP-0739903-A1 | CARBAMOYLMETHYLUREA DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1996-10-30 | — | — | EP | disclosed |