Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.38 |
| ▸ | BCR | P11274 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6984892 | 0.92 | KDM4E (0.45) | ALDH1A1KCNA5KDM4EPOLBMEN1 | |
| SCHEMBL8579639 | 0.91 | DRD3 (0.40) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL6976776 | 0.89 | CA12 (0.44) | ALDH1A1PKMHPGDSMN1; SMN2KDM4E | |
| SCHEMBL6982088 | 0.86 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM4EPOLBMEN1 | |
| SCHEMBL6981795 | 0.83 | POLB (0.47) | ALDH1A1SMN1; SMN2ABL1BCRKDM4E | |
| SCHEMBL6983252 | 0.78 | CACNA1B (0.36) | — | |
| SCHEMBL6974103 | 0.77 | NPC1 (0.48) | ALDH1A1KDM4EPOLB | |
| Hydrochloric Acid SCHEMBL6986400 | 0.72 | HTR1A (0.41) | ALDH1A1SMN1; SMN2KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL6984012 | 0.71 | SIGMAR1 (0.45) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL6976497 | 0.69 | CARM1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0923575-B1 | CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-03-12 | — | — | EP | disclosed |
| US-6172085-B1 | CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-09 | — | — | US | disclosed |