Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8686002 | 0.83 | CYP1A2 (0.50) | ALDH1A1KDM4ECYP1A2KMT2AHSP90AB1 | |
| SCHEMBL15317599 | 0.77 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP1A2KMT2AHSP90AB1 | |
| SCHEMBL9461045 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KDM4ECYP1A2HSP90AB1SMN1; SMN2 | |
| SCHEMBL10828626 | 0.76 | ALDH1A1 (0.42) | ALDH1A1KDM4ECYP1A2HSP90AB1SMN1; SMN2 | |
| SCHEMBL10828739 | 0.74 | KDM4E (0.39) | ALDH1A1KDM4ECYP1A2KMT2AHSP90AB1 | |
| SCHEMBL10828437 | 0.74 | KDM4E (0.40) | ALDH1A1KDM4ECYP1A2KMT2ASMN1; SMN2 | |
| SCHEMBL8687010 | 0.72 | KDM4E (0.49) | ALDH1A1KDM4ECYP1A2KMT2ASMN1; SMN2 | |
| SCHEMBL5092329 | 0.69 | CYP1A2 (0.48) | ALDH1A1KDM4EL3MBTL1CYP1A2KMT2A | |
| SCHEMBL24759680 | 0.68 | MTNR1A (0.46) | ALDH1A1KDM4EHSP90AB1SMN1; SMN2 | |
| SCHEMBL8687107 | 0.68 | TSHR (0.45) | ALDH1A1KDM4EL3MBTL1CYP1A2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4596869-A | Pyridinyl and pyrimidinyl derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-06-24 | — | — | US | disclosed |
| US-4395411-A | ANTIBIOTICS; BACTERICIDES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-07-26 | — | — | US | disclosed |
| US-4267176-A | Amino or acylamino-substituted pyrimidinyl cephalosporanic acid derivatives and pharmaceutical compositions thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-05-12 | — | — | US | disclosed |