Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL28052126 | 0.97 | ALDH1A1 (0.61) | ALDH1A1TDP1LMNACYP1A2CYP2D6 | |
| Bromobenzene SCHEMBL16210948 | 0.95 | ALDH1A1 (0.58) | ALDH1A1TDP1LMNACYP1A2CYP2D6 | |
| Bromobenzene SCHEMBL27276701 | 0.92 | ALDH1A1 (0.61) | ALDH1A1TDP1LMNACYP1A2CYP2D6 | |
| Bromobenzene SCHEMBL27752036 | 0.91 | ALDH1A1 (0.48) | ALDH1A1TDP1LMNACYP1A2CYP2D6 | |
| Bromobenzene SCHEMBL5795843 | 0.88 | ALDH1A1 (0.50) | ALDH1A1TDP1LMNACYP1A2CYP2D6 | |
| Bromobenzene SCHEMBL28246336 | 0.87 | MEN1 (0.50) | ALDH1A1TDP1LMNAMEN1KMT2A | |
| Bromobenzene SCHEMBL27900108 | 0.87 | MEN1 (0.50) | ALDH1A1TDP1LMNAMEN1KMT2A | |
| Heptane SCHEMBL28655989 | 0.86 | MAPK1 (0.65) | ALDH1A1TDP1LMNACYP1A2CYP2D6 | |
| Octane SCHEMBL28664555 | 0.86 | MAPK1 (0.65) | ALDH1A1TDP1LMNACYP1A2CYP2D6 | |
| Bromobenzene SCHEMBL27368728 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TDP1LMNACYP1A2CYP2D6 |
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-20160359116-A1 | Organic Semiconductor Formulations | SMARTKEM LIMITED (GB) | 2016-12-08 | — | — | US | disclosed |