Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | PPARG | P37231 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 2/20 | 0.51 |
| ▸ | CTSS | P25774 | 2/20 | 0.51 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.51 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.51 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.51 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27660160 | 0.85 | ALOX5 (0.52) | RAB9AGAACA1CA2TAS1R3 | |
| SCHEMBL27660162 | 0.85 | ALOX5 (0.52) | RAB9AGAACA1CA2TAS1R3 | |
| SCHEMBL1123055 | 0.85 | GAA (0.80) | RAB9AGAAPPARGGPR132ERAP2 | |
| SCHEMBL19918338 | 0.84 | CA1 (0.54) | RAB9AGAAMAOBCA1CA2 | |
| SCHEMBL6030161 | 0.83 | GAA (0.77) | RAB9AGAAPPARGCTSKCTSS | |
| SCHEMBL10692459 | 0.83 | CA1 (0.48) | RAB9AGAACA1CA2ALDH1A1 | |
| SCHEMBL10692464 | 0.83 | CA1 (0.48) | RAB9AGAACTSKCTSSCA1 | |
| SCHEMBL1122925 | 0.82 | GAA (0.75) | RAB9AGAAPPARGGPR132ERAP2 | |
| SCHEMBL1122834 | 0.82 | GAA (0.75) | RAB9AGAAPPARGCTSKCTSS | |
| SCHEMBL8972761 | 0.81 | L3MBTL1 (0.52) | LNPEPCA1CA2TAS1R3TAS1R1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5552545-A | 5-deaza-10-oxo-and 5-deaza-10-thio-5,6,7,8-tetrahydrofolic acids | ELI LILLY AND COMPANY (US) | 1996-09-03 | — | — | US | disclosed |
| US-5321150-A | 5-deaza-10-oxo- and 5-deaza-10-thio-5,6,7,8-tetrahydrofolic acids | ELI LILLY AND COMPANY (US) | 1994-06-14 | — | — | US | disclosed |
| EP-0552552-A2 | 5-Deazafolic acid derivatives and their use as antineoplastics agents | ELI LILLY AND COMPANY (US) | 1993-07-28 | — | — | EP | disclosed |
| US-5159079-A | 2-piperidones as intermediates for 5-deaza-10-oxo- and 5-deaza-10-thio-5,6,7,8-tetrahydrofolic acids | ELI LILLY AND COMPANY (US) | 1992-10-27 | — | — | US | disclosed |