Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | TLR4 | O00206 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14543527 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4EATMEPHX1CA12 | |
| SCHEMBL14098332 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4EATMEPHX1CA12 | |
| SCHEMBL10305534 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4EATMEPHX1CA12 | |
| SCHEMBL14885085 | 0.94 | ALDH1A1 (0.60) | ALDH1A1KDM4EATMEPHX1CA12 | |
| SCHEMBL14820161 | 0.87 | ATM (0.50) | ALDH1A1KDM4EATMEPHX1CA12 | |
| SCHEMBL18078660 | 0.87 | ATM (0.50) | ALDH1A1KDM4EATMEPHX1CA12 | |
| SCHEMBL15731518 | 0.87 | ATM (0.50) | ALDH1A1KDM4EATMEPHX1CA12 | |
| SCHEMBL18078661 | 0.87 | ATM (0.50) | ALDH1A1KDM4EATMEPHX1CA12 | |
| SCHEMBL26512382 | 0.87 | ATM (0.50) | ALDH1A1KDM4EATMEPHX1CA12 | |
| SCHEMBL26288090 | 0.87 | ATM (0.50) | ALDH1A1KDM4EATMEPHX1CA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021119249-A1 | CYCLOPHILIN D INHIBITORS AND USES THEREOF | THE BROAD INSTITUTE, INC. (US) | 2021-06-17 | — | — | WO | disclosed |
| WO-2017023894-A1 | MTHFD2 INHIBITORS AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-02-09 | — | — | WO | disclosed |