Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.32 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8781689 | 0.76 | TAAR1 (0.36) | ALDH1A1MEN1KMT2AMAPTCYP26A1 | |
| SCHEMBL15173592 | 0.76 | HRH1 (0.34) | DAOALDH1A1MEN1KMT2AHDAC1 | |
| SCHEMBL9331401 | 0.73 | SLC6A3 (0.42) | ALDH1A1MEN1KMT2AMAPTLMNA | |
| SCHEMBL9202521 | 0.71 | DAO (0.36) | DAOALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL8959059 | 0.70 | DAO (0.40) | DAOALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL9587877 | 0.64 | HTR2A (0.46) | HTTSIGMAR1 | |
| SCHEMBL8145750 | 0.63 | AKR1C3 (0.51) | ALDH1A1MAPTHTT | |
| SCHEMBL8980482 | 0.63 | AKR1C3 (0.51) | ALDH1A1MAPTHTT | |
| SCHEMBL14592601 | 0.63 | GRIN1 (0.38) | ESR1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL8852685 | 0.63 | AKR1C3 (0.51) | ALDH1A1MAPTHTT |
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-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 |
| EP-0474301-A2 | Cyclohexanone derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-03-11 | — | — | EP | disclosed |