Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 3/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6502231 | 0.86 | CYP4F2 (0.39) | CYP4F2CYP4A11ALDH1A1TSHRALOX15 | |
| SCHEMBL6501940 | 0.85 | CYP4F2 (0.38) | CYP4F2CYP4A11ALDH1A1TSHRALOX15 | |
| SCHEMBL24977637 | 0.82 | TDP1 (0.38) | CYP4F2CYP4A11ALDH1A1TSHRALOX15 | |
| SCHEMBL6502716 | 0.81 | KMT2A (0.42) | CYP4F2CYP4A11ALDH1A1TSHRALOX15 | |
| SCHEMBL22826015 | 0.79 | CYP4F2 (0.39) | CYP4F2CYP4A11ATR | |
| SCHEMBL22825574 | 0.77 | CYP4F2 (0.36) | CYP4F2CYP4A11ATR | |
| SCHEMBL20382691 | 0.77 | SMYD3 (0.38) | CYP4F2CYP4A11ALDH1A1TSHRHSD17B10 | |
| SCHEMBL26638900 | 0.76 | CYP4F2 (0.46) | CYP4F2CYP4A11ALDH1A1TSHRALOX15 | |
| SCHEMBL26639045 | 0.76 | POLB (0.38) | CYP4F2CYP4A11ALDH1A1TSHRALOX15 | |
| SCHEMBL20408354 | 0.75 | KMT2A (0.40) | CYP4F2CYP4A11ALDH1A1TSHRALOX15 |
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-2021099579-A1 | MACROCYCLIC INDOLE DERIVATIVES AS MCL-1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2021-05-27 | — | — | WO | disclosed |
| WO-2020254471-A1 | MACROCYCLIC INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2020-12-24 | — | — | WO | disclosed |