Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 4/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10628315 | 0.79 | MAOA (0.44) | BRD4TSHRMAOAKDM4EALDH1A1 | |
| SCHEMBL643335 | 0.77 | MAPT (0.37) | NOTUMNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL27943422 | 0.70 | IKBKE (0.42) | NOTUMNPC1TP53TSHRNFKB1 | |
| SCHEMBL8620821 | 0.68 | — | — | |
| SCHEMBL31222672 | 0.68 | ALOX5 (0.65) | NOTUMMAOBNPC1TP53TSHR | |
| SCHEMBL817554 | 0.68 | ALOX5 (0.65) | NOTUMMAOBNPC1TP53TSHR | |
| Hydrochloric Acid SCHEMBL31070804 | 0.66 | ALOX5 (0.62) | NOTUMMAOBNPC1TP53TSHR | |
| SCHEMBL29629014 | 0.66 | ALOX5 (0.62) | NOTUMMAOBNPC1TP53TSHR | |
| Hydrochloric Acid SCHEMBL28332867 | 0.66 | ALOX5 (0.62) | NOTUMMAOBNPC1TP53TSHR | |
| SCHEMBL8043972 | 0.66 | ALDH1A1 (0.45) | NOTUMNPC1TP53TSHRNFKB1 |
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-1042325-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033831-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-08 | — | — | WO | disclosed |