Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.78 |
| ▸ | GAA | P10253 | 2/20 | 0.78 |
| ▸ | TP53 | P04637 | 1/20 | 0.78 |
| ▸ | BRD4 | O60885 | 5/20 | 0.64 |
| ▸ | CREBBP | Q92793 | 5/20 | 0.64 |
| ▸ | MEN1 | O00255 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9602657 | 0.84 | SMN1; SMN2 (0.72) | ALDH1A1HSD17B10TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL9628805 | 0.84 | HSD17B10 (0.72) | ALDH1A1HSD17B10TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL4116168 | 0.82 | ALDH1A1 (0.69) | ALDH1A1HSD17B10TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL11156685 | 0.80 | ALDH1A1 (0.65) | ALDH1A1HSD17B10TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL10353022 | 0.78 | ALDH1A1 (0.64) | ALDH1A1HSD17B10TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL14273765 | 0.78 | ALDH1A1 (0.64) | ALDH1A1HSD17B10TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL11069336 | 0.78 | BRD4 (0.66) | ALDH1A1HSD17B10TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL8853797 | 0.78 | CREBBP (1.00) | ALDH1A1HSD17B10TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL10353037 | 0.78 | BRD4 (0.66) | ALDH1A1HSD17B10TSHRSMN1; SMN2MAPK1 | |
| Bromide SCHEMBL6210437 | 0.77 | ALDH1A1 (0.62) | ALDH1A1HSD17B10TSHRSMN1; SMN2MAPK1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0324181-B1 | PROCESS FOR THE PREPARATION OF BENZOTHIAZEPINONE DERIVATIVES | BAYER AG (DE) | 1991-11-27 | — | — | EP | disclosed |
| US-4948886-A | Process for the preparation of benzothiazepinone derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1990-08-14 | — | — | US | disclosed |
| EP-0292824-B1 | PROCESS FOR THE NUCLEAR CHLORINATION OF AROMATIC HYDROCARBONS | BAYER AG (DE) | 1990-08-01 | — | — | EP | disclosed |
| US-4851596-A | Process for nucleus-chlorination of aromatic hydrocarbons | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-25 | — | — | US | disclosed |
| EP-0324181-A1 | Process for the preparation of benzothiazepinone derivatives | BAYER AG (DE) | 1989-07-19 | — | — | EP | disclosed |
| EP-0292824-A1 | Process for the nuclear chlorination of aromatic hydrocarbons | BAYER AG (DE) | 1988-11-30 | — | — | EP | disclosed |
| US-4232027-A | ANTIINFLAMMATORY AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1980-11-04 | — | — | US | disclosed |
| US-3983106-A | ANTIINFLAMMATORY AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1976-09-28 | — | — | US | disclosed |
| US-3953469-A | TRANQUILLIZERS | E. R. SQUIBB & SONS, INC. (US) | 1976-04-27 | — | — | US | disclosed |
| US-3948889-A | CHEMICAL INTERMEDIATES | E. R. SQUIBB & SONS, INC. (US) | 1976-04-06 | — | — | US | disclosed |