Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 5/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 6/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL166880 | 0.97 | TSHR (0.40) | TSHRALDH1A1RIPK1FKBP1AFFAR3 | |
| SCHEMBL553596 | 0.82 | TDP1 (0.38) | TSHRALDH1A1RIPK1FKBP1AFFAR3 | |
| Dimebutic Acid SCHEMBL1176300 | 0.77 | — | — | |
| SCHEMBL11000935 | 0.76 | TDP1 (0.40) | TSHRALDH1A1FFAR3CYP2C19 | |
| SCHEMBL8603741 | 0.74 | TDP1 (0.35) | TSHRALDH1A1RIPK1FKBP1A | |
| SCHEMBL9247690 | 0.74 | TSHR (0.40) | TSHRALDH1A1FFAR3HMGCRCHRM1 | |
| SCHEMBL4381836 | 0.74 | TSHR (0.40) | TSHRALDH1A1FFAR3HMGCRCHRM1 | |
| SCHEMBL3917530 | 0.74 | FKBP1A (0.33) | TSHRRIPK1FKBP1A | |
| SCHEMBL392087 | 0.74 | TSHR (0.40) | TSHRALDH1A1HMGCRCHRM1TBXA2R | |
| SCHEMBL7195881 | 0.74 | RIPK1 (0.36) | TSHRALDH1A1RIPK1FFAR3HMGCR |
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-6242234-B1 | HAS ONE OR MORE CYSTEINES REPLACED WITH NON-SULFUR CONTAINING AMINO ACIDS; HIGHER LEVEL OF STABILITY TO AGGREGATION AND OXIDATION; FOR CONVERTING ALPHA KETO ACIDS INTO CORRESPONDING CHIRAL ALPHA AMINO ACIDS | DEGUSSA AKTIENGESELLSCHAFT (DE) | 2001-06-05 | — | — | US | disclosed |
| US-5670652-A | REACTION OF NEOPENTYLGLYCINOL WITH CHLOROFORMIC ACID TO FORM ALKYLOXAZOLIDINONE | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1997-09-23 | — | — | US | disclosed |