Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.36 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.36 |
| ▸ | GRM6 | O15303 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8439729 | 0.81 | RAB9A (0.54) | GLARAB9AVCAM1MAPTGRIA1 | |
| SCHEMBL18527857 | 0.80 | ALDH1A1 (0.50) | GLARAB9AMAPTPOLBTDP1 | |
| SCHEMBL3859628 | 0.80 | ALDH1A1 (0.50) | GLARAB9AMAPTPOLBTDP1 | |
| SCHEMBL9586447 | 0.78 | MAPT (0.50) | RAB9AVCAM1MAPTGRIA1GRIA2 | |
| SCHEMBL26090819 | 0.77 | MEN1 (0.49) | VCAM1MAPTCYP1A2POLBCYP2C9 | |
| SCHEMBL18528029 | 0.77 | AR (0.55) | GLACYP1A2ALOX15CYP2C9LMNA | |
| SCHEMBL18528032 | 0.77 | AR (0.55) | GLACYP1A2ALOX15CYP2C9LMNA | |
| SCHEMBL8434899 | 0.77 | ADRB2 (0.47) | GLAMAP3K8MAPTCYP1A2HPGD | |
| Hydrochloric Acid SCHEMBL8435612 | 0.76 | ADRB2 (0.46) | GLAMAP3K8MAPTCYP1A2HPGD | |
| SCHEMBL9799360 | 0.76 | HCAR3 (0.43) | GLARAB9AVCAM1MAPTGRIA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5865856-A | MIXTURE CONTAINING COUPLER AND DEVELOPER | WELLA AKTIENGESELLSCHAFT (DE) | 1999-02-02 | — | — | US | disclosed |
| EP-0797980-A1 | Oxidation hair dye composition comprising a 2,5-diaminobenzonitrile as well as 2,5-diaminobenzonitrile compounds | Wella Aktiengesellschaft (DE) | 1997-10-01 | — | — | EP | disclosed |