Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8927361 | 0.95 | TDP1 (0.36) | TDP1ALDH1A1HPGDCYP3A4TSHR | |
| SCHEMBL8927563 | 0.92 | ALDH1A1 (0.36) | TDP1ALDH1A1HPGDCYP3A4TSHR | |
| SCHEMBL14283555 | 0.92 | ALDH1A1 (0.36) | TDP1ALDH1A1HPGDCYP3A4TSHR | |
| SCHEMBL806315 | 0.92 | ALDH1A1 (0.46) | TDP1ALDH1A1HPGDCYP3A4TSHR | |
| SCHEMBL2700479 | 0.90 | ALDH1A1 (0.42) | TDP1ALDH1A1HPGDCYP3A4TSHR | |
| SCHEMBL9427757 | 0.90 | ALDH1A1 (0.44) | TDP1ALDH1A1HPGDCYP3A4TSHR | |
| SCHEMBL13321052 | 0.89 | TDP1 (0.36) | TDP1ALDH1A1HPGDCYP3A4TSHR | |
| SCHEMBL26221657 | 0.89 | TDP1 (0.36) | TDP1ALDH1A1HPGDCYP3A4TSHR | |
| SCHEMBL1644520 | 0.89 | TDP1 (0.40) | TDP1ALDH1A1HPGDCYP3A4TSHR | |
| SCHEMBL29555384 | 0.89 | TDP1 (0.40) | TDP1ALDH1A1HPGDCYP3A4TSHR |
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-5631404-A | DIAMINE COMPOUND SUBSTITUTED WITH PYRENE RING, FLEXIBILITY | RICOH COMPANY, LTD. (JP) | 1997-05-20 | — | — | US | disclosed |
| US-5489495-A | Electrophotographic photoconductor and diamine compounds for use in the same | RICHOH COMPANY, LTD. (JP) | 1996-02-06 | — | — | US | disclosed |