Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | HTT | P42858 | 3/20 | 0.61 |
| ▸ | USP2 | O75604 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9179842 | 0.99 | ALDH1A1 (0.60) | ALDH1A1HTTUSP2TSHRPOLB | |
| SCHEMBL9002239 | 0.86 | ALDH1A1 (0.49) | ALDH1A1HTTUSP2TSHRPOLB | |
| SCHEMBL9001975 | 0.84 | KMT2A (0.47) | ALDH1A1HTTUSP2TSHRPOLB | |
| SCHEMBL9002076 | 0.83 | ALDH1A1 (0.48) | ALDH1A1HTTUSP2TSHRMAPT | |
| SCHEMBL9001951 | 0.83 | SMN1; SMN2 (0.50) | ALDH1A1HTTTSHRPOLBMAPT | |
| SCHEMBL9002382 | 0.82 | USP2 (0.40) | ALDH1A1HTTUSP2TSHR | |
| SCHEMBL9001920 | 0.79 | MTNR1A (0.47) | ALDH1A1TSHRKMT2ANPSR1L3MBTL1 | |
| SCHEMBL9002172 | 0.79 | MAPT (0.43) | ALDH1A1HTTUSP2TSHRPOLB | |
| Hydrochloric Acid SCHEMBL9002295 | 0.78 | ALDH1A1 (0.49) | ALDH1A1POLBSMN1; SMN2LMNAMEN1 | |
| SCHEMBL9002027 | 0.78 | CNR2 (0.36) | ALDH1A1HTTUSP2TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5587383-A | CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| EP-0471236-B1 | Imidazopyridine derivatives and their use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5395839-A | Calmodulin and angiogenesis inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-03-07 | — | — | US | disclosed |
| US-5244908-A | Calmodulin inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-09-14 | — | — | US | disclosed |
| EP-0471236-A1 | Imidazopyridine derivatives and their use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-02-19 | — | — | EP | disclosed |