Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15978541 | 0.85 | IDH1 (0.53) | IDH1DAOCALM1TP53BCL2 | |
| SCHEMBL27719076 | 0.83 | IDH1 (0.58) | IDH1DAOCALM1SMN1; SMN2RAB9A | |
| SCHEMBL8977412 | 0.82 | IDH1 (0.54) | IDH1DAOCALM1TDP1BCL2 | |
| SCHEMBL11173312 | 0.78 | IDH1 (0.53) | IDH1DAOCALM1SMN1; SMN2NPC1 | |
| SCHEMBL11195540 | 0.78 | IDH1 (0.53) | IDH1DAOCALM1SMN1; SMN2RAB9A | |
| SCHEMBL11483794 | 0.78 | IDH1 (0.57) | IDH1DAOCALM1POLBBCL2 | |
| SCHEMBL358651 | 0.78 | IDH1 (0.57) | IDH1DAOCALM1ALOX5TDP1 | |
| SCHEMBL15977315 | 0.77 | IDH1 (0.49) | IDH1DAOCALM1SMN1; SMN2NPC1 | |
| SCHEMBL9559052 | 0.77 | L3MBTL1 (0.46) | IDH1SMN1; SMN2NPC1RAB9AALOX5 | |
| SCHEMBL584803 | 0.76 | IDH1 (0.54) | IDH1DAOCALM1SMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-11008596-B2 | Cytochrome P450 BM3 enzyme variants for preparation of cyclopropanes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2021-05-18 | — | — | US | disclosed |
| US-20190211367-A1 | VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-07-11 | — | — | US | disclosed |