Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NAT1 | P18440 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.31 |
| ▸ | FKBP1A | P62942 | 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 | |
|---|---|---|---|---|
| SCHEMBL8991952 | 1.00 | KDM4E (0.35) | KDM4EGAAALDH1A1MEN1POLB | |
| SCHEMBL8532119 | 0.86 | CYP1A2 (0.35) | ALOX5PTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8532121 | 0.86 | CYP1A2 (0.35) | ALOX5PTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8533654 | 0.83 | GAA (0.39) | KDM4EGAAALDH1A1MEN1POLB | |
| SCHEMBL8533657 | 0.83 | GAA (0.39) | KDM4EGAAALDH1A1MEN1POLB | |
| SCHEMBL8933530 | 0.80 | PTGS2 (0.47) | GAAALDH1A1MEN1KMT2AALOX5 | |
| SCHEMBL8893749 | 0.80 | PTGS2 (0.47) | GAAALDH1A1MEN1KMT2AALOX5 | |
| SCHEMBL7796827 | 0.76 | MEN1 (0.40) | KDM4EGAAALDH1A1MEN1POLB | |
| SCHEMBL7796826 | 0.76 | MEN1 (0.40) | KDM4EGAAALDH1A1MEN1POLB | |
| SCHEMBL8933465 | 0.71 | PTGS2 (0.42) | GAAALDH1A1MEN1KMT2AALOX5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5731336-A | USING ARYL-SUBSTITUTED RHODAMINES | ELI LILLY AND COMPANY (US) | 1998-03-24 | — | — | US | disclosed |
| US-5691367-A | ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS | ELI LILLY AND COMPANY (US) | 1997-11-25 | — | — | US | disclosed |
| EP-0722729-A2 | Aryl-substituted rhodanines for treating multiple sclerosis | ELI LILLY AND COMPANY (US) | 1996-07-24 | — | — | EP | disclosed |
| US-5356917-A | Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals | ELI LILLY AND COMPANY (US) | 1994-10-18 | — | — | US | disclosed |
| US-5158966-A | Aryl-substituted rhodanine derivatives | THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) | 1992-10-27 | — | — | US | disclosed |