Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 8/20 | 0.44 |
| ▸ | NPC1 | O15118 | 7/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27480093 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KMT2AMAPTPOLBKDM4E | |
| SCHEMBL5390967 | 0.80 | ALDH1A1 (0.55) | ALDH1A1KMT2AMAPTPOLBKDM4E | |
| SCHEMBL28124499 | 0.77 | ALDH1A1 (0.52) | ALDH1A1KMT2AMAPTPOLBKDM4E | |
| SCHEMBL1695124 | 0.77 | ALDH1A1 (0.55) | ALDH1A1KMT2AMAPTPOLBKDM4E | |
| SCHEMBL28306142 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KMT2AMAPTPOLBKDM4E | |
| Benzoic Acid Hydrazide SCHEMBL10824591 | 0.75 | ALDH1A1 (0.45) | ALDH1A1KMT2AMAPTPOLBKDM4E | |
| SCHEMBL6291224 | 0.75 | RAB9A (0.49) | ALDH1A1KMT2AMAPTPOLBKDM4E | |
| SCHEMBL11143477 | 0.75 | RAB9A (0.55) | ALDH1A1KMT2AMAPTPOLBKDM4E | |
| SCHEMBL28884941 | 0.74 | KMT2A (0.54) | ALDH1A1KMT2AMAPTPOLBTDP1 | |
| SCHEMBL30771879 | 0.74 | SMN1; SMN2 (0.50) | ALDH1A1KMT2ARAB9ANPC1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-114630822-A | Biaryl dihydroorotate dehydrogenase inhibitors | 詹森生物科技公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-114286813-A | Substituted urea dihydroorotate dehydrogenase inhibitors | 詹森生物科技公司 | 2022-04-05 | — | — | CN | disclosed |