Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.52 |
| ▸ | OXER1 | Q8TDS5 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.52 |
| ▸ | PPARG | P37231 | 3/20 | 0.52 |
| ▸ | RXRA | P19793 | 2/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.52 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15314327 | 1.00 | TSHR (0.52) | TSHRALDH1A1OXER1MAPTCYP19A1 | |
| SCHEMBL982588 | 0.94 | ALDH1A1 (0.62) | TSHRALDH1A1OXER1MAPTCYP19A1 | |
| SCHEMBL21317438 | 0.94 | ALDH1A1 (0.62) | TSHRALDH1A1OXER1MAPTCYP19A1 | |
| SCHEMBL982591 | 0.94 | ALDH1A1 (0.62) | TSHRALDH1A1OXER1MAPTCYP19A1 | |
| SCHEMBL31720895 | 0.94 | ALDH1A1 (0.62) | TSHRALDH1A1OXER1MAPTCYP19A1 | |
| SCHEMBL12696483 | 0.94 | ALDH1A1 (0.62) | TSHRALDH1A1OXER1MAPTCYP19A1 | |
| SCHEMBL982589 | 0.94 | ALDH1A1 (0.62) | TSHRALDH1A1OXER1MAPTCYP19A1 | |
| SCHEMBL16232225 | 0.92 | ALDH1A1 (0.60) | TSHRALDH1A1OXER1MAPTCYP19A1 | |
| SCHEMBL9188658 | 0.91 | TSHR (0.63) | TSHRALDH1A1OXER1MAPTAKT1 | |
| SCHEMBL2401513 | 0.91 | TSHR (0.63) | TSHRALDH1A1OXER1MAPTAKT1 |
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-0258032-A2 | Processes and intermediates for N-(S-3-alkylheptanoyl)-D-gamma-glutamyl-glycyl-D-alanine | PFIZER INC. (US) | 1988-03-02 | — | — | EP | claimed |
| WO-2022166642-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF | 北京志健金瑞生物医药科技有限公司 | 2022-08-11 | — | — | WO | disclosed |
| US-3953377-A | Ethyl-2-trans-4-cis undecadienoate, ethyl-2-trans-4-cis dodecadienoate and ethyl-2-decadienoate perfume compositions | FIRMENICH S.A. (CH) | 1976-04-27 | — | — | US | disclosed |