Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.52 |
| ▸ | AGXT | P21549 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 7/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.41 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.41 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.41 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28677605 | 0.81 | IDO1 (0.52) | IDO1APPESR1ESR2 | |
| SCHEMBL28150816 | 0.77 | IDO1 (0.52) | IDO1MAOBAPP | |
| SCHEMBL17484610 | 0.77 | AGXT (0.52) | IDO1AGXTMAOBORAI1ORAI2 | |
| SCHEMBL28900090 | 0.77 | ALDH1A1 (0.44) | IDO1MAOBAPPLOXL2 | |
| SCHEMBL2025672 | 0.76 | TSHR (0.52) | IDO1AGXT | |
| Boric Acid SCHEMBL28556682 | 0.74 | TSHR (0.50) | IDO1AGXT | |
| SCHEMBL6273725 | 0.74 | IDO1 (0.55) | IDO1AGXTMAOBAPP | |
| SCHEMBL9796367 | 0.74 | TAAR1 (0.41) | — | |
| SCHEMBL30305137 | 0.74 | LMNA (0.44) | — | |
| SCHEMBL14489521 | 0.73 | IDO1 (0.58) | IDO1AGXTMAOBAPPNR4A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113896188-A | Preparation method of boron-doped graphene heat-conducting film | 中国科学院兰州化学物理研究所 | 2022-01-07 | — | — | CN | claimed |
| WO-2023169569-A1 | TRICYCLIC HETEROCYCLE COMPOUNDS AS IAP ANTAGONISTS | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2023-09-14 | — | — | WO | disclosed |
| CN-116731016-A | Tricyclic heterocyclic compounds as IAP antagonists | 苏州亚盛药业有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-113896188-A | Preparation method of boron-doped graphene heat-conducting film | 中国科学院兰州化学物理研究所 | 2022-01-07 | — | — | CN | disclosed |