Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL2460502 | 1.00 | ALDH1A1 (0.41) | ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4 | |
| Benzene SCHEMBL2456086 | 0.88 | — | — | |
| Toluene SCHEMBL2461658 | 0.84 | LMNA (0.48) | SMN1; SMN2NPC1HPGDRAB9A | |
| Naphthalene SCHEMBL2461176 | 0.84 | CYP2A6 (0.38) | TDP1 | |
| Chlorobenzene SCHEMBL27767655 | 0.83 | TSHR (0.46) | CYP1A2 | |
| SCHEMBL240820 | 0.83 | — | — | |
| Toluene SCHEMBL28202228 | 0.82 | ACHE (0.41) | SMN1; SMN2NPC1HPGDRAB9A | |
| O-Xylene SCHEMBL5613076 | 0.82 | TSHR (0.46) | ALDH1A1CYP3A4TDP1 | |
| Diphenylether SCHEMBL9949030 | 0.81 | LTA4H (0.48) | SMN1; SMN2MAPTKDM4E | |
| Azobenzene SCHEMBL27782163 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPK1CYP3A4HSD17B10TDP1 |
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-6936384-B2 | Infrared-sensitive composition containing a metallocene derivative | KODAK POLYCHROME GRAPHICS LLC (US) | 2005-08-30 | — | — | US | disclosed |
| US-20040023136-A1 | Infrared-sensitive composition containing a metallocene derivative | CITICORP NORTH AMERICA, INC., AS AGENT | 2004-02-05 | — | — | US | disclosed |