Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11251379 | 0.83 | CYP1A2 (0.36) | ALDH1A1POLBCYP1A2KDM4EMAPT | |
| SCHEMBL11264160 | 0.82 | ALDH1A1 (0.37) | ALDH1A1LMNAPOLBDRD2HTR2A | |
| SCHEMBL11253091 | 0.82 | ALDH1A1 (0.40) | ALDH1A1POLBDRD2HTR2AHTR2B | |
| SCHEMBL4099006 | 0.82 | GAA (0.51) | POLBCYP1A2DRD2HTR2AHTR2B | |
| SCHEMBL11246972 | 0.81 | HTT (0.34) | ALDH1A1LMNAPOLBCYP1A2KDM4E | |
| SCHEMBL11255736 | 0.80 | HTT (0.41) | ALDH1A1LMNAPOLBKDM4EMEN1 | |
| SCHEMBL6692615 | 0.79 | DRD2 (0.54) | ALDH1A1LMNAPOLBCYP1A2DRD2 | |
| Hydrochloric Acid SCHEMBL11258555 | 0.78 | PKM (0.55) | ALDH1A1LMNAPOLBCYP1A2DRD2 | |
| SCHEMBL11093462 | 0.78 | CYP1A2 (0.40) | ALDH1A1LMNACYP1A2CLCN2KDM4E | |
| SCHEMBL11837091 | 0.78 | LMNA (0.32) | ALDH1A1LMNAPOLBCLCN2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4326074-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1982-04-20 | — | — | US | disclosed |
| US-4115564-A | Treatment of diarrhea with amidinoureas | WILLIAM H. RORER, INC. (US) | 1978-09-19 | — | — | US | disclosed |