Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | MMP14 | P50281 | 2/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2302448 | 0.77 | NPC1 (0.40) | ABCG2HSP90AA1HSP90AB1NPC1RAB9A | |
| SCHEMBL9820409 | 0.74 | MAPT (0.40) | HSP90AA1HSP90AB1ACHENPC1TDP1 | |
| SCHEMBL11907479 | 0.69 | CCR1 (0.56) | HSP90AA1HSP90AB1NPC1TDP1KDM4E | |
| SCHEMBL10336412 | 0.68 | ACHE (0.46) | HSP90AA1HSP90AB1ACHENPC1RAB9A | |
| SCHEMBL2800678 | 0.67 | IDO1 (0.41) | ABCG2HSP90AA1ACHEIDO1KDM4E | |
| SCHEMBL245741 | 0.67 | HSP90AA1 (0.44) | ABCG2HSP90AA1HSP90AB1ADORA2AIGF1R | |
| SCHEMBL1577248 | 0.67 | ALDH1A1 (0.46) | HSP90AA1ACHENPC1RAB9AIDO1 | |
| SCHEMBL28942142 | 0.66 | IDO1 (0.64) | HSP90AA1HSP90AB1NPC1RAB9AIDO1 | |
| SCHEMBL3874363 | 0.65 | NUDT1 (0.43) | ABCG2HSP90AA1HSP90AB1ACHEIDO1 | |
| SCHEMBL9460903 | 0.65 | DHFR (0.47) | ABCG2HSP90AA1HSP90AB1ADORA2AACHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0275520-B1 | SUBSTITUTED 1,8-NAPHTHYRIDINE DERIVATIVES AND FUNGICIDES CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1991-12-11 | — | — | EP | disclosed |