Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9202521 | 0.71 | DAO (0.36) | DAOALDH1A1GRM2DRD2DRD4 | |
| SCHEMBL8959059 | 0.70 | DAO (0.40) | DAOALDH1A1ELANEMAPTTAAR1 | |
| SCHEMBL4429938 | 0.63 | PTPN1 (0.33) | — | |
| SCHEMBL8883464 | 0.61 | KDM4E (0.55) | ALDH1A1KDM4ENPC1RAB9AMAPT | |
| SCHEMBL8883465 | 0.61 | KDM4E (0.55) | ALDH1A1KDM4ENPC1RAB9AMAPT | |
| SCHEMBL14592561 | 0.61 | SSTR1 (0.41) | ALDH1A1GRM2KDM4ENPC1RAB9A | |
| SCHEMBL8883780 | 0.61 | KDM4E (0.55) | ALDH1A1KDM4ENPC1RAB9AMAPT | |
| SCHEMBL1106684 | 0.60 | IDO1 (0.58) | DAOALDH1A1MAPTTAAR1 | |
| SCHEMBL9056250 | 0.59 | MAOB (0.44) | ALDH1A1P2RX7SMN1; SMN2MAPT | |
| SCHEMBL24000928 | 0.59 | HTR2C (0.44) | ALDH1A1KDM4EMAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0474303-B1 | Process for the preparation of cyclopentane derivatives and intermediates therefor | SHELL INT RESEARCH (NL) | 1996-01-17 | — | — | EP | disclosed |
| EP-0474301-B1 | Cyclohexanone derivatives | SHELL INT RESEARCH (NL) | 1995-12-20 | — | — | EP | disclosed |
| US-5200535-A | Intermediates for fungicides | SHELL RESEARCH LIMITED (GB) | 1993-04-06 | — | — | US | disclosed |
| US-5151550-A | Cyclopentane derivatives | SHELL RESEARCH LIMITED (GB) | 1992-09-29 | — | — | US | disclosed |
| EP-0474301-A2 | Cyclohexanone derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-03-11 | — | — | EP | disclosed |
| EP-0474303-A1 | Process for the preparation of cyclopentane derivatives and intermediates therefor | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-03-11 | — | — | EP | disclosed |