Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.47 |
| ▸ | GART | P22102 | 3/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | CHIT1 | Q13231 | 2/20 | 0.31 |
| ▸ | CHIA | Q9BZP6 | 2/20 | 0.31 |
| ▸ | COPS5 | Q92905 | 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 | |
|---|---|---|---|---|
| SCHEMBL8875735 | 1.00 | DHFR (0.47) | DHFRGARTNOS1CHIT1CHIA | |
| SCHEMBL8326952 | 1.00 | DHFR (0.47) | DHFRGARTNOS1CHIT1CHIA | |
| SCHEMBL8874134 | 0.86 | DHFR (0.56) | DHFRGARTNOS1 | |
| SCHEMBL7490675 | 0.86 | DHFR (0.56) | DHFRGARTNOS1 | |
| Hydrochloric Acid SCHEMBL8875657 | 0.85 | DHFR (0.55) | DHFRGARTNOS1 | |
| SCHEMBL9460931 | 0.85 | DHFR (0.47) | DHFRGARTNOS1CHIT1CHIA | |
| Hydrochloric Acid SCHEMBL7487428 | 0.85 | DHFR (0.55) | DHFRGARTNOS1 | |
| SCHEMBL8875010 | 0.85 | DHFR (0.45) | DHFRGARTNOS1 | |
| SCHEMBL9709383 | 0.83 | DHFR (0.43) | DHFRGARTNOS1 | |
| SCHEMBL9460668 | 0.81 | DHFR (0.41) | DHFRGART |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0593286-B1 | Intermediates for preparing antifolate compounds and processes thereto | LILLY CO ELI (US) | 1999-12-15 | — | — | EP | disclosed |
| US-5981745-A | μ-oxo-gallium phthalocyanine dimer having novel polymorph and electrophotographic photoreceptor prepared by using the same | ORIENT CHEMICAL INDUSTRIES, LTD. (JP) | 1999-11-09 | — | — | US | disclosed |
| US-5969136-A | Cyclization for preparing antifolate compounds | ELI LILLY AND COMPANY (US) | 1999-10-19 | — | — | US | disclosed |
| US-5910384-A | FOR COPIERS, PRINTERS; PHOTOSENSITIVITY, DURABILITY | ORIENT CHEMICAL INDUSTRIES, LTD. (JP) | 1999-06-08 | — | — | US | disclosed |
| US-5486614-A | Intermediates for preparing antifolate compounds | ELI LILLY AND COMPANY (US) | 1996-01-23 | — | — | US | disclosed |
| EP-0593286-A2 | Intermediates for preparing antifolate compounds and processes there to | ELI LILLY AND COMPANY (US) | 1994-04-20 | — | — | EP | disclosed |