Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.38 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.38 |
| ▸ | ITGAL | P20701 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29948201 | 0.90 | SSTR4 (0.41) | ALDH1A1SMN1; SMN2ITGB2ICAM1ITGAL | |
| SCHEMBL5847641 | 0.90 | SSTR4 (0.41) | ALDH1A1SMN1; SMN2ITGB2ICAM1ITGAL | |
| SCHEMBL5847643 | 0.90 | SSTR4 (0.41) | ALDH1A1SMN1; SMN2ITGB2ICAM1ITGAL | |
| SCHEMBL30207743 | 0.90 | SSTR4 (0.41) | ALDH1A1SMN1; SMN2ITGB2ICAM1ITGAL | |
| SCHEMBL769058 | 0.90 | SSTR4 (0.41) | ALDH1A1SMN1; SMN2ITGB2ICAM1ITGAL | |
| SCHEMBL27833998 | 0.88 | SSTR4 (0.40) | ALDH1A1ITGB2ICAM1ITGALSSTR4 | |
| Hydrochloric Acid SCHEMBL28001542 | 0.88 | SSTR4 (0.40) | ALDH1A1ITGB2ICAM1ITGALSSTR4 | |
| SCHEMBL6639773 | 0.85 | ATM (0.45) | NPC1RAB9ASMN1; SMN2ITGB2ICAM1 | |
| Cyanate SCHEMBL27883107 | 0.83 | PTGDR2 (0.41) | DPP4 | |
| SCHEMBL2794624 | 0.79 | GLS (0.47) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA |
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-1039899-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999032100-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |
| WO-1998055475-A1 | GUANIDINE DERIVIATIVES AS INHIBITORS OF NA+/H+ EXCHANGE IN CELLS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-12-10 | — | — | WO | disclosed |