Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.74 |
| ▸ | CASP1 | P29466 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL3433990 | 0.98 | ALDH1A1 (0.71) | ALDH1A1CASP1HTTSMN1; SMN2KDM4E | |
| Quinoline SCHEMBL3433988 | 0.98 | ALDH1A1 (0.71) | ALDH1A1CASP1HTTSMN1; SMN2KDM4E | |
| Quinoline SCHEMBL28336293 | 0.98 | ALDH1A1 (0.71) | ALDH1A1CASP1HTTSMN1; SMN2KDM4E | |
| Quinoline SCHEMBL2535469 | 0.91 | ALDH1A1 (0.81) | ALDH1A1CASP1HTTSMN1; SMN2KDM4E | |
| Quinoline SCHEMBL27960167 | 0.89 | ALDH1A1 (0.77) | ALDH1A1CASP1HTTSMN1; SMN2KDM4E | |
| Quinoline SCHEMBL4599170 | 0.89 | ALDH1A1 (0.77) | ALDH1A1CASP1HTTSMN1; SMN2KDM4E | |
| Quinoline SCHEMBL2313500 | 0.89 | ALDH1A1 (0.85) | ALDH1A1CASP1HTTSMN1; SMN2KDM4E | |
| Quinoline SCHEMBL27834738 | 0.89 | ALDH1A1 (0.85) | ALDH1A1CASP1HTTSMN1; SMN2KDM4E | |
| Quinoline SCHEMBL4265438 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CASP1HTTSMN1; SMN2KDM4E | |
| Quinoline SCHEMBL27849601 | 0.87 | ALDH1A1 (0.74) | ALDH1A1CASP1HTTSMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-103239720-B | Treatment or lenitive material | SHANGHAI INSTITUTES FOR BIOLOGICAL SCIENCES, CHINESE ACADEMY OF SCIENCES (CN) | 2016-03-16 | — | — | CN | disclosed |
| CN-103239720-A | Substance for curing or relieving pain | SHANGHAI INST BIOL SCIENCES | 2013-08-14 | — | — | CN | disclosed |
| WO-2010054102-A2 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2010-05-14 | — | — | WO | disclosed |