Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.53 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.52 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.43 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17938486 | 0.90 | TSHR (0.66) | TSHRFOLH1CYP2C9HIF1AALDH1A1 | |
| 2-Carboxybenzeneacetic Acid SCHEMBL1891118 | 0.88 | AKR1B1 (0.61) | TSHRAKR1B1FOLH1BCAT2ALDH1A1 | |
| 2-Carboxybenzeneacetic Acid SCHEMBL27477 | 0.88 | AKR1B1 (0.61) | TSHRAKR1B1FOLH1BCAT2ALDH1A1 | |
| SCHEMBL69352 | 0.88 | TSHR (0.68) | TSHRFOLH1CYP2C9HIF1AALDH1A1 | |
| 2-Carboxybenzeneacetic Acid SCHEMBL4828304 | 0.86 | BCAT2 (0.59) | TSHRAKR1B1FOLH1BCAT2ALDH1A1 | |
| 2-Carboxybenzeneacetic Acid SCHEMBL3975685 | 0.86 | BCAT2 (0.59) | TSHRAKR1B1FOLH1BCAT2ALDH1A1 | |
| SCHEMBL8696243 | 0.81 | FOLH1 (0.53) | TSHRFOLH1CYP2C9HIF1AALDH1A1 | |
| SCHEMBL29410826 | 0.81 | AKR1B1 (0.76) | TSHRAKR1B1BCAT2CYP2C9TDP1 | |
| SCHEMBL30359 | 0.81 | AKR1B1 (0.76) | TSHRAKR1B1BCAT2CYP2C9TDP1 | |
| SCHEMBL9566274 | 0.80 | AKR1B1 (0.57) | AKR1B1BCAT2ALDH1A1TDP1KDM4E |
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-5827868-A | Prostaglandin analogs | E. R. SQUIBB & SONS, INC. (US) | 1998-10-27 | — | — | US | disclosed |
| EP-0536713-A1 | Oxazole and imidazole derivatives as prostaglandin analogs | E.R. SQUIBB & SONS, INC. (US) | 1993-04-14 | — | — | EP | disclosed |