Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.81 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.81 |
| ▸ | ALPI | P09923 | 1/20 | 0.81 |
| ▸ | PKM | P14618 | 1/20 | 0.81 |
| ▸ | XIAP | P98170 | 1/20 | 0.81 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.59 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.59 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.59 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Phenylalanine SCHEMBL1033850 | 0.91 | SLC7A5 (0.85) | SLC7A5PTGS1ALPIPKMXIAP | |
| Dl-Phenylalanine SCHEMBL27332406 | 0.91 | SLC7A5 (0.85) | SLC7A5PTGS1ALPIPKMXIAP | |
| Dl-Phenylalanine SCHEMBL28155691 | 0.91 | SLC7A5 (0.85) | SLC7A5PTGS1ALPIPKMXIAP | |
| D-Phenylalanine SCHEMBL1012055 | 0.91 | SLC7A5 (0.85) | SLC7A5PTGS1ALPIPKMXIAP | |
| Phenylalanine SCHEMBL5063628 | 0.90 | SLC7A5 (0.92) | SLC7A5PTGS1ALPIPKMXIAP | |
| Dl-Phenylalanine SCHEMBL5063626 | 0.90 | SLC7A5 (0.92) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL23159186 | 0.90 | SLC7A5 (1.00) | SLC7A5PTGS1ALPIPKMXIAP | |
| Phenylalanine SCHEMBL16398197 | 0.90 | SLC7A5 (1.00) | SLC7A5PTGS1ALPIPKMXIAP | |
| Dl-Phenylalanine SCHEMBL8118 | 0.90 | SLC7A5 (1.00) | SLC7A5PTGS1ALPIPKMXIAP | |
| Dl-Phenylalanine SCHEMBL16398196 | 0.90 | SLC7A5 (1.00) | SLC7A5PTGS1ALPIPKMXIAP |
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 |
|---|---|---|---|---|---|---|---|
| EP-0691961-B1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | DU PONT PHARM CO (US) | 2002-02-13 | — | — | EP | disclosed |
| US-5877170-A | VIRICIDES | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-03-02 | — | — | US | disclosed |
| US-5663333-A | Substituted 1,4-diazapine caprolactams useful for treatment of HIV disease | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-09-02 | — | — | US | disclosed |
| EP-0691961-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994008977-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-04-28 | — | — | WO | disclosed |