Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5162220 | 0.82 | TDP1 (0.63) | TDP1KMT2AMAPK1HIF1ASLC6A2 | |
| Methyl Benzoate SCHEMBL27799060 | 0.80 | TSHR (0.63) | KMT2ASLC6A3ALDH1A1LMNASMN1; SMN2 | |
| Benzophenone SCHEMBL27861703 | 0.77 | ALDH1A1 (0.59) | TDP1KMT2AMAPK1ALDH1A1LMNA | |
| Benzoic Acid SCHEMBL7026585 | 0.77 | TSHR (0.56) | KMT2AALDH1A1LMNASMN1; SMN2RAB9A | |
| Morpholine SCHEMBL28240748 | 0.75 | SIGMAR1 (0.46) | KMT2AALDH1A1SMN1; SMN2NPC1RAB9A | |
| Benzoic Acid SCHEMBL9285867 | 0.75 | TSHR (0.54) | KMT2AALDH1A1LMNASMN1; SMN2RAB9A | |
| Benzoic Acid SCHEMBL11879027 | 0.74 | TSHR (0.48) | KMT2AALDH1A1LMNASMN1; SMN2RAB9A | |
| Acetophenone SCHEMBL9448713 | 0.74 | OPRD1 (0.49) | TDP1ALDH1A1LMNASMN1; SMN2NPC1 | |
| Benzamide SCHEMBL4198407 | 0.74 | TSHR (0.59) | TDP1KMT2AALDH1A1LMNASMN1; SMN2 | |
| Propiophenone SCHEMBL27655182 | 0.73 | MAPT (0.51) | TDP1KMT2AMAPK1ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109071457-A | Inhibitors of indoleamine 2, 3-dioxygenase | 荷兰转化研究中心有限责任公司 | 2018-12-21 | — | — | CN | disclosed |