Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TYMS | P04818 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.35 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.35 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7709521 | 0.87 | ALDH1A1 (0.49) | ALDH1A1GPR35KDM1ATSHRTDP1 | |
| SCHEMBL7709612 | 0.82 | TYMS (0.51) | ALDH1A1TDP1TYMSCYP3A4HIF1A | |
| SCHEMBL7709442 | 0.82 | ALDH1A1 (0.47) | ALDH1A1GPR35TDP1TYMSHIF1A | |
| SCHEMBL5142990 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRTDP1TYMSCYP3A4 | |
| SCHEMBL7709389 | 0.79 | TYMS (0.55) | ALDH1A1TDP1TYMSCYP3A4HIF1A | |
| SCHEMBL7708955 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TDP1MEN1KMT2ACYP1A2 | |
| SCHEMBL3276659 | 0.74 | ALDH1A1 (0.59) | ALDH1A1TSHRTDP1TYMSMEN1 | |
| SCHEMBL9077637 | 0.73 | ALDH1A1 (0.51) | ALDH1A1TSHRTDP1TYMSCYP3A4 | |
| SCHEMBL11669000 | 0.73 | TYMS (0.46) | ALDH1A1GPR35TSHRTDP1TYMS | |
| SCHEMBL30631737 | 0.71 | ALDH1A1 (0.56) | ALDH1A1GPR35TSHRTDP1TYMS |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362181-B1 | BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS | WARNER-LAMBERT COMPANY | 2002-03-26 | — | — | US | disclosed |
| US-6177423-B1 | N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS | WARNER-LAMBERT COMPANY | 2001-01-23 | — | — | US | disclosed |
| EP-0939754-A2 | N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1999-09-08 | — | — | EP | disclosed |
| WO-1998019648-A2 | N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |