Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9718829 | 0.78 | CYP1A2 (0.32) | CYP2A6LMNATSHR | |
| SCHEMBL498541 | 0.76 | ALDH1A1 (0.40) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL5918765 | 0.76 | IDO1 (0.35) | IDO1 | |
| SCHEMBL3118129 | 0.76 | ALDH1A1 (0.46) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL21174848 | 0.76 | ALDH1A1 (0.41) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL10570890 | 0.72 | ALDH1A1 (0.44) | NPC1RAB9ASMN1; SMN2HPGDTP53 | |
| SCHEMBL6394393 | 0.72 | MAPT (0.36) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL2520450 | 0.72 | HSD11B1 (0.42) | HPGDALDH1A1HSD11B1NOTUMTSHR | |
| SCHEMBL2534712 | 0.72 | ESR2 (0.41) | HPGDALDH1A1LMNATSHRKMT2A | |
| SCHEMBL935295 | 0.71 | FABP3 (0.44) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5103027-A | Catalyst selectivity | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1992-04-07 | — | — | US | claimed |