Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29941360 | 0.73 | HPRT1 (0.50) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL8564442 | 0.71 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL9994190 | 0.71 | CYP2A6 (0.92) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL7149656 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL30932938 | 0.68 | CYP2A6 (1.00) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL29358486 | 0.68 | CYP2A6 (1.00) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL7643 | 0.68 | CYP2A6 (1.00) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL29477074 | 0.68 | CYP2A6 (1.00) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL27458043 | 0.68 | CYP2A6 (1.00) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL8873977 | 0.68 | CYP2A6 (1.00) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0703218-A1 | Pyrrolidinyl di-carboxylic acid derivatives as metabotropic glutamate receptor antagonists | ELI LILLY AND COMPANY (US) | 1996-03-27 | — | — | EP | disclosed |
| WO-1996005828-A1 | PYRROLIDINYL DI-CARBOXYLIC ACID DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1996-02-29 | — | — | WO | disclosed |