Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL4715999 | 0.81 | CYP2A6 (0.48) | CYP2A6ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL723278 | 0.81 | ALDH1A1 (0.44) | CYP2A6ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL28755646 | 0.79 | ERN1 (0.40) | MAPT | |
| SCHEMBL695227 | 0.76 | SLC6A7 (0.41) | ALDH1A1NPC1MAPTRAB9AKDM4E | |
| SCHEMBL16511765 | 0.73 | ALDH1A1 (0.41) | CYP2A6ALDH1A1NPC1MAPTKMT2A | |
| SCHEMBL28014367 | 0.71 | HPGD (0.39) | CYP2A6ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL27605058 | 0.71 | ERN1 (0.41) | — | |
| SCHEMBL260384 | 0.71 | CYP2A6 (0.84) | CYP2A6ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL13177700 | 0.71 | CYP2A6 (0.84) | CYP2A6ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL27605051 | 0.70 | DYRK1A (0.62) | CYP2A6ALDH1A1NPC1RAB9ACYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103304555-B | One group of benzene-oxazolyl derivative and preparation method thereof and the related application as IMPDH inhibitor | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-03-30 | — | — | CN | disclosed |
| CN-103442566-B | The compound of Therapeutic cancer | GTX, INC. (US) | 2015-12-09 | — | — | CN | disclosed |
| CN-102883607-B | Compounds for the treatment of cancer | GTX INC | 2015-07-22 | — | — | CN | disclosed |
| CN-104736530-A | Compounds for the treatment of paramoxyvirus viral infections | ALIOS BIOPHARMA INC | 2015-06-24 | — | — | CN | disclosed |
| CN-104592205-A | COMPOUNDS FOR TREATMENT OF CANCER | GTX INC | 2015-05-06 | — | — | CN | disclosed |