Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Indene SCHEMBL9444068 | 0.98 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP2D6CYP2C19CA1 | |
| Indene SCHEMBL29813684 | 0.98 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP2D6CYP2C19CA1 | |
| Indene SCHEMBL200671 | 0.98 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP2D6CYP2C19CA1 | |
| Naphthalene SCHEMBL10727204 | 0.93 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP2D6CYP2C19CA1 | |
| Indene SCHEMBL3169287 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP2D6CYP2C19CA1 | |
| Indene SCHEMBL2384214 | 0.89 | CA1 (0.46) | ALDH1A1TSHRCYP2D6CYP2C19CA1 | |
| Indene SCHEMBL3187001 | 0.88 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP2D6CYP2C19CA1 | |
| Indene SCHEMBL11199934 | 0.88 | CYP2D6 (0.48) | ALDH1A1TSHRCYP2D6CYP2C19CA1 | |
| Indene SCHEMBL8048473 | 0.85 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP2D6CYP2C19CA1 | |
| Indene SCHEMBL14637127 | 0.85 | CA1 (0.38) | ALDH1A1TSHRCYP2D6CYP2C19CA1 |
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-5753775-A | DISPERSANT FOR DYE AND PIGMENT FORMULATIONS | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-19 | — | — | US | disclosed |