Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12088125 | 0.83 | ALDH1A1 (0.46) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL11675505 | 0.79 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL11672894 | 0.76 | TDP1 (0.47) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| Methane SCHEMBL11670652 | 0.76 | NAAA (0.36) | ALDH1A1MEN1KMT2AATMTDP1 | |
| SCHEMBL11670387 | 0.75 | POLB (0.42) | ALDH1A1SMN1; SMN2POLBCHRM2CHRM1 | |
| SCHEMBL3586530 | 0.75 | ALDH1A1 (0.51) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL11827309 | 0.74 | CHRM1 (0.49) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL11211219 | 0.74 | MTNR1A (0.45) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL11670275 | 0.73 | CHRM2 (0.42) | ALDH1A1SMN1; SMN2POLBCHRM2CHRM1 | |
| SCHEMBL11670270 | 0.73 | EGFR (0.48) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E |
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-4039526-A | PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-02 | — | — | US | disclosed |
| US-4039539-A | 1,2,4-Triazole-azo-aniline cationic dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-02 | — | — | US | disclosed |