Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | CCRL2 | O00421 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 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 | |
|---|---|---|---|---|
| SCHEMBL13347443 | 0.92 | TSHR (0.39) | TSHRSHBGSLC18A3CCRL2CHRM2 | |
| SCHEMBL14088062 | 0.90 | SHBG (0.43) | TSHRSHBGIDO1LMNAALDH1A1 | |
| SCHEMBL2380868 | 0.90 | SHBG (0.43) | TSHRSHBGIDO1LMNAALDH1A1 | |
| SCHEMBL10747014 | 0.89 | TSHR (0.34) | TSHRSLC18A3CCRL2IDO1LMNA | |
| SCHEMBL25074937 | 0.88 | HSD11B1 (0.36) | TSHRSLC18A3CCRL2MAPTSMN1; SMN2 | |
| SCHEMBL9998327 | 0.85 | TSHR (0.34) | TSHRSLC18A3CCRL2IDO1LMNA | |
| SCHEMBL28699078 | 0.81 | TSHR (0.41) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL24588224 | 0.81 | LMNA (0.35) | TSHRSHBGCHRM2CHRM4CHRM1 | |
| SCHEMBL6677999 | 0.79 | ALOX15 (0.44) | TSHRSLC18A3CHRM2CHRM4CHRM1 | |
| SCHEMBL20313255 | 0.79 | SHBG (0.33) | TSHRSHBGCHRNB2CHRNB4CHRNA3 |
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-6362344-B1 | REACTING AN ALDEHYDE WITH ORGANOZINC COMPOUND IN PRESENCE OF CATALYTIC ERYTHRO-B-AMINO ALCOHOL | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-03-26 | — | — | US | disclosed |
| US-6187918-B1 | CHIRAL AMINOALCOHOL CATALYSTS | DUPONT PHARMACEUTICALS COMPANY | 2001-02-13 | — | — | US | disclosed |