Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MPI | P34949 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | PGD | P52209 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6379379 | 0.81 | CTSK (0.39) | TSHRTDP1MAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL11543731 | 0.78 | TSHR (0.39) | TSHRTDP1MAPTSMN1; SMN2USP2 | |
| SCHEMBL10525928 | 0.78 | TDP1 (0.50) | TSHRTDP1MAPTSMN1; SMN2USP2 | |
| SCHEMBL27430284 | 0.78 | ALOX15 (0.44) | TSHRTDP1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL6384307 | 0.78 | CTSK (0.44) | TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL8988942 | 0.77 | TSHR (0.47) | TSHRTDP1MAPTSMN1; SMN2USP2 | |
| SCHEMBL6382812 | 0.76 | FAAH (0.40) | MAPTGALR3 | |
| SCHEMBL11194246 | 0.76 | RNPEP (0.38) | TSHRTDP1ALDH1A1CHRM2CHRM4 | |
| SCHEMBL9504876 | 0.76 | — | — | |
| SCHEMBL1882577 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5162552-A | PREPARATION OF 4-ACETALS OF BUTENE-1,4-DIAL AND NOVEL ACETALS OF BUTENE-1,4-DIAL | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |