Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL11290947 | 0.81 | ALDH1A1 (0.45) | ALDH1A1MAPK1TSHRCYP2C19HPGD | |
| Benzene SCHEMBL28317926 | 0.80 | CYP2C19 (0.30) | ALDH1A1TSHRCYP2C19 | |
| Bromobenzene SCHEMBL27943528 | 0.78 | ALDH1A1 (0.58) | ALDH1A1TDP1MAPK1TSHRCYP2A6 | |
| Bromobenzene SCHEMBL27532115 | 0.78 | ALDH1A1 (0.58) | ALDH1A1TDP1MAPK1TSHRNPC1 | |
| Phenol SCHEMBL21433618 | 0.77 | TDP1 (0.50) | ALDH1A1TDP1MAPK1KMT2ATSHR | |
| Aniline SCHEMBL28784816 | 0.77 | TSHR (0.50) | ALDH1A1TDP1KMT2ATSHRCYP2C19 | |
| Bromobenzene SCHEMBL27865282 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TDP1MAPK1TSHRNPC1 | |
| Bromobenzene SCHEMBL28023281 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TDP1MAPK1KMT2ATSHR | |
| Bromobenzene SCHEMBL27764170 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TDP1MAPK1KMT2ATSHR | |
| Bromobenzene SCHEMBL27516855 | 0.75 | ALDH1A1 (0.69) | ALDH1A1TDP1MAPK1KMT2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-6321844-A | — | — | None | — | — | JP | disclosed |
| JP-H06321844-A | TOLAN DERIVATIVE COMPOUND, LIQUID CRYSTAL MATERIAL AND LIQUID CRYSTAL ELEMENT CONTAINING THE SAME | JAPAN CARLIT CO LTD:THE | 1994-11-22 | — | — | JP | disclosed |