Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.71 |
| ▸ | IDO1 | P14902 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | PGK1 | P00558 | 1/20 | 0.48 |
| ▸ | PGK2 | P07205 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11544092 | 0.86 | AKR1C3 (0.70) | AKR1C3IDO1TSHRMAOBPGK1 | |
| SCHEMBL5983772 | 0.83 | AKR1C3 (0.81) | AKR1C3IDO1TSHRMAOBPGK1 | |
| SCHEMBL5069158 | 0.83 | AKR1C3 (1.00) | AKR1C3IDO1TSHRMAOBPGK1 | |
| SCHEMBL5983768 | 0.82 | AKR1C3 (0.74) | AKR1C3IDO1TSHRMAOBPGK1 | |
| SCHEMBL8720914 | 0.80 | AKR1C3 (0.60) | AKR1C3IDO1TSHRMAOBPGK1 | |
| SCHEMBL13537855 | 0.80 | AKR1C3 (0.60) | AKR1C3IDO1TSHRNPC1RAB9A | |
| SCHEMBL6932050 | 0.79 | AKR1C3 (0.70) | AKR1C3IDO1TSHRMAOBPGK1 | |
| SCHEMBL10766432 | 0.79 | AKR1C3 (0.70) | AKR1C3IDO1TSHRMAOBPGK1 | |
| SCHEMBL5331963 | 0.78 | AKR1C3 (0.67) | AKR1C3IDO1TSHRMAOBPGK1 | |
| SCHEMBL11655183 | 0.77 | AKR1C3 (0.57) | AKR1C3IDO1MAOBPGK1PGK2 |
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-0539057-B1 | Benzimidazole phosphono-amino acids | AMERICAN HOME PROD (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0539057-A1 | Benzimidazole phosphono-amino acids | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-04-28 | — | — | EP | disclosed |
| US-5124319-A | Administering for treatment of neuropathological disorders induced by overstimulation of excitatory amino acid receptors | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-06-23 | — | — | US | disclosed |