Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.49 |
| ▸ | HTR1D | P28221 | 3/20 | 0.47 |
| ▸ | HTR1B | P28222 | 3/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2422374 | 0.85 | ALDH1A1 (0.65) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL4888000 | 0.85 | ALDH1A1 (0.69) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| Hydrochloric Acid SCHEMBL6561435 | 0.83 | ALDH1A1 (0.67) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL8487152 | 0.83 | HTR1D (0.62) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL11669697 | 0.81 | ALDH1A1 (0.62) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL2424933 | 0.80 | ALDH1A1 (0.67) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL31528226 | 0.80 | ALDH1A1 (0.67) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL812635 | 0.79 | ALDH1A1 (0.77) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL30920025 | 0.79 | ALDH1A1 (0.77) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL11729416 | 0.79 | ALDH1A1 (0.65) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4038274-A | ANTIDEPRESSANTS | E. R. SQUIBB & SONS, INC. (US) | 1977-07-26 | — | — | US | disclosed |
| US-3969527-A | INDENO(1,2-C)PYRAZOLE | E. R. SQUIBB & SONS, INC. (US) | 1976-07-13 | — | — | US | disclosed |