Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8593716 | 0.93 | ALDH1A1 (0.50) | ALDH1A1TP53TAAR1MAPTKMT2A | |
| SCHEMBL6188895 | 0.89 | ALDH1A1 (0.55) | ALDH1A1TP53TAAR1CTSKMAPT | |
| SCHEMBL8675296 | 0.72 | ALDH1A1 (0.45) | ALDH1A1TP53TAAR1MAPTKMT2A | |
| SCHEMBL1644083 | 0.67 | TP53 (0.55) | ALDH1A1TP53TAAR1CTSKCTSS | |
| SCHEMBL8028437 | 0.66 | TAAR1 (0.50) | TAAR1MAPTKMT2AMEN1PPARG | |
| SCHEMBL960 | 0.66 | ALDH1A1 (1.00) | ALDH1A1KMT2ACA1CA2 | |
| Benzene SCHEMBL28101078 | 0.66 | ALDH1A1 (1.00) | ALDH1A1KMT2ACA1CA2 | |
| SCHEMBL7425728 | 0.65 | TAAR1 (0.52) | ALDH1A1TP53TAAR1MAPTKMT2A | |
| SCHEMBL7551204 | 0.64 | KMT2A (0.67) | ALDH1A1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL28942580 | 0.64 | ALDH1A1 (0.96) | ALDH1A1KMT2ACA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |