Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PDE6D | O43924 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8443965 | 0.97 | ESR1 (0.56) | ESR1TDP1L3MBTL1MAPTRAB9A | |
| SCHEMBL4651613 | 0.92 | ESR1 (0.58) | ESR1MAPTRAB9ASMN1; SMN2PDE6D | |
| SCHEMBL7095574 | 0.85 | ESR1 (0.68) | ESR1PDE6DTSHRKMT2ACYP2C19 | |
| SCHEMBL3040144 | 0.80 | ALDH1A1 (0.53) | MAPTRAB9ASMN1; SMN2KMT2A | |
| SCHEMBL308320 | 0.80 | ALDH1A1 (0.52) | TDP1L3MBTL1HTR1AMEN1KMT2A | |
| SCHEMBL4944410 | 0.78 | ESR1 (0.59) | ESR1RAB9APDE6DTSHRKMT2A | |
| SCHEMBL8910757 | 0.78 | ESR1 (0.59) | ESR1PDE6DTSHRKMT2ACYP2C19 | |
| SCHEMBL3833947 | 0.78 | ESR1 (0.59) | ESR1RAB9ASMN1; SMN2MEN1TSHR | |
| SCHEMBL8971577 | 0.78 | ESR1 (0.59) | ESR1PDE6DTSHRKMT2ACYP2C19 | |
| SCHEMBL24668859 | 0.77 | ESR1 (0.49) | ESR1MAPTRAB9APDE6DMEN1 |
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-5614614-A | ANTIBIOTICS, CHEMICAL INTERMEDIATES | ROUSSEL UCLAF (FR) | 1997-03-25 | — | — | US | disclosed |
| US-5527780-A | BACTERICIDES | ROUSSEL UCLAF (FR) | 1996-06-18 | — | — | US | disclosed |